2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid

C14H16N2O4 — CID 110284310

IUPAC2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
SMILESCN1CCN(C(=O)c2ccccc2)C(CC(=O)O)C1=O
InChIInChI=1S/C14H16N2O4/c1-15-7-8-16(11(14(15)20)9-12(17)18)13(19)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,17,18)
InChIKeyLSLMPYSVWLVFHR-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.44
Rot. Bonds3

About 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid

2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid (PubChem CID 110284310) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
PubChem CID110284310
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
SMILESCN1CCN(C(=O)c2ccccc2)C(CC(=O)O)C1=O
InChIInChI=1S/C14H16N2O4/c1-15-7-8-16(11(14(15)20)9-12(17)18)13(19)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,17,18)
InChIKeyLSLMPYSVWLVFHR-UHFFFAOYSA-N
XLogP0.44
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284430
2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284320
2-[1-(cyclopropanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284344
2-(1,4-dimethyl-3-oxopiperazin-2-yl)acetic acid
CID 53408603
2-[1-(cyclopentanecarbonyl)-4-methyl-3-oxopiperazin-2-yl]acetic acid
CID 110284378
2-[(2R,3R)-1,4-dibenzoyl-3-methylpiperazin-2-yl]acetic acid
CID 176721280
2-[(2R,3S)-1-benzoyl-3,4-dimethylpiperazin-2-yl]acetic acid
CID 176721207
3-butyl-1-methyl-4-[4-(phenoxymethyl)benzoyl]piperazin-2-one
CID 131941063
2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284411
3-ethyl-1-methyl-4-[4-(pyridin-2-ylsulfanylmethyl)benzoyl]piperazin-2-one
CID 50948918
(3S)-1,4-dibenzoyl-3-prop-2-enylpiperazin-2-one
CID 146607210
3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid?
The IUPAC name of 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid (CID 110284310) is 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid?
The canonical SMILES for 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid is CN1CCN(C(=O)c2ccccc2)C(CC(=O)O)C1=O.
What is the InChIKey of 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid?
The InChIKey is LSLMPYSVWLVFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-15-7-8-16(11(14(15)20)9-12(17)18)13(19)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,17,18).
What are the key properties of 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid?
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid has a molecular weight of 276.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid is sourced from PubChem (CID 110284310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).