(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide

C14H19N3O2 — CID 95811257

IUPAC(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C(N)=O
InChIInChI=1S/C14H19N3O2/c1-11(18)17-8-7-16(10-13(17)14(15)19)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H2,15,19)/t13-/m0/s1
InChIKeyHYDCACDBQSYDTE-ZDUSSCGKSA-N
MW261.32 g/mol
LogP0.20
Rot. Bonds3

About (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide

(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide (PubChem CID 95811257) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
PubChem CID95811257
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccccc2)C[C@H]1C(N)=O
InChIInChI=1S/C14H19N3O2/c1-11(18)17-8-7-16(10-13(17)14(15)19)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H2,15,19)/t13-/m0/s1
InChIKeyHYDCACDBQSYDTE-ZDUSSCGKSA-N
XLogP0.20
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 95811271
(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide
CID 124972311
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide
CID 124952150
1-acetyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 110086044
(2S)-1-acetyl-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
CID 125001338
(2R)-1-(2-methylpropanoyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124962044
(2S)-4-benzyl-2-ethylpiperazine-1-carboxylic acid
CID 67131699
1-[(2S)-2-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 124955965
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide (CID 95811257) is (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide is CC(=O)N1CCN(Cc2ccccc2)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide?
The InChIKey is HYDCACDBQSYDTE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(18)17-8-7-16(10-13(17)14(15)19)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H2,15,19)/t13-/m0/s1.
What are the key properties of (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide?
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-4-benzylpiperazine-2-carboxamide is sourced from PubChem (CID 95811257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).