4-benzyl-3-oxopiperazine-1-carboxylic acid

C12H14N2O3 — CID 68915236

IUPAC4-benzyl-3-oxopiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C12H14N2O3/c15-11-9-14(12(16)17)7-6-13(11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)
InChIKeyQZXSMYILRQWCGP-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.01
Rot. Bonds2

About 4-benzyl-3-oxopiperazine-1-carboxylic acid

4-benzyl-3-oxopiperazine-1-carboxylic acid (PubChem CID 68915236) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-benzyl-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-3-oxopiperazine-1-carboxylic acid
PubChem CID68915236
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name4-benzyl-3-oxopiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C12H14N2O3/c15-11-9-14(12(16)17)7-6-13(11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)
InChIKeyQZXSMYILRQWCGP-UHFFFAOYSA-N
XLogP1.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-buta-1,3-dien-2-ylpiperazin-2-one
CID 91113767
1,7,10,16-tetrabenzyl-4,13-dimethyl-1,4,7,10,13,16-hexazacyclooctadecane-2,6,11,15-tetrone
CID 10676220
1-benzyl-4-(4-methoxybenzoyl)piperazin-2-one
CID 145164386
4-(azepane-4-carbonyl)-1-benzylpiperazin-2-one
CID 118794851
4-(azepane-4-carbonyl)-1-benzylpiperazin-2-one;hydrochloride
CID 154903014
4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119330494
6-acetyl-3-benzyl-1,3,6-triazonan-2-one
CID 170035651
4-benzyl-1-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-5-one
CID 42366762
4-(3-chloro-2-hydroxypropyl)-3-oxopiperazine-1-carboxylic acid
CID 66995259
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
4-benzyl-1-(thiophene-3-carbonyl)-1,4-diazepan-5-one
CID 26360657
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-oxopiperazine-1-carboxylic acid?
The IUPAC name of 4-benzyl-3-oxopiperazine-1-carboxylic acid (CID 68915236) is 4-benzyl-3-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 4-benzyl-3-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 4-benzyl-3-oxopiperazine-1-carboxylic acid is O=C(O)N1CCN(Cc2ccccc2)C(=O)C1.
What is the InChIKey of 4-benzyl-3-oxopiperazine-1-carboxylic acid?
The InChIKey is QZXSMYILRQWCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-9-14(12(16)17)7-6-13(11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17).
What are the key properties of 4-benzyl-3-oxopiperazine-1-carboxylic acid?
4-benzyl-3-oxopiperazine-1-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 68915236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).