2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone

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CAS
917202-00-7
Size
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Purity
>98
Price
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Availability
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Catalog Number

ACM917202007

Product Name

2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone

CAS

917202-00-7

Category

Heterocyclic Organic Compound

IUPAC Name

tert-butylN-[2-(4-carbamoylpiperazin-1-yl)-2-oxoethyl]carbamate

Molecular Weight

286.33

Molecular Formula

C₁₂H₂₂N₄O₄

Canonical SMILES

CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(=O)N

InChI Key

YMQRFVDFPNPYAN-UHFFFAOYSA-N

Density

1.228g/cm³

Exact Mass

286.16400

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?

The molecular formula of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone is C12H22N4O4.

When was 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone created and modified in the PubChem database?

It was created on 2009-05-28 and modified on 2023-12-30.

What is the molecular weight of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?

The molecular weight is 286.33 g/mol.

What is the IUPAC name of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?

The IUPAC name is tert-butyl N-[2-(4-carbamoylpiperazin-1-yl)-2-oxoethyl]carbamate.

What is the InChI key of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?

The InChI Key is YMQRFVDFPNPYAN-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone have?

It has 2 hydrogen bond donor counts.

What is the XLogP3-AA value of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?

The XLogP3-AA value is -0.8.

What is the topological polar surface area of 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone?

The topological polar surface area is 105?2.

How many rotatable bond counts does 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone have?

It has 4 rotatable bond counts.

Is 2-Boc-amino-1-(4-carbamoyl-piperazin-1-yl)-ethanone a canonicalized compound in PubChem?

Yes, it is a canonicalized compound in PubChem.

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