(2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid

C15H19ClN2O3 — CID 129401535

IUPAC(2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-13(15(20)21)17-7-8-18(14(19)10-17)9-11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeySANDXEDMBGTFCI-CYBMUJFWSA-N
MW310.78 g/mol
LogP1.85
Rot. Bonds5

About (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid

(2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid (PubChem CID 129401535) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid
PubChem CID129401535
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name(2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C15H19ClN2O3/c1-2-13(15(20)21)17-7-8-18(14(19)10-17)9-11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeySANDXEDMBGTFCI-CYBMUJFWSA-N
XLogP1.85
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropyl)-3-oxopiperazin-1-yl]butanoic acid
CID 122099739
2-(4-methyl-3-oxopiperazin-1-yl)butanoic acid
CID 64695120
4-butan-2-yl-1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 144662384
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119795947
4-(3-amino-2-methylbutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120501277
1-[(4-chlorophenyl)methyl]-4-(4-hydroxybutyl)piperazin-2-one
CID 111436483
4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119330494
2-(2-ethylphenyl)-2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
CID 72908462
(2R)-2-(2-ethylphenyl)-2-[4-[(4-methoxyphenyl)methyl]-3-oxopiperazin-1-yl]acetic acid
CID 97280913
2-(4-methyl-3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 102889475
2-[1-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 136527132
4-[(4-methyl-2-oxopiperazin-1-yl)methyl]benzoic acid;hydrochloride
CID 142651914

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid?
The IUPAC name of (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid (CID 129401535) is (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid?
The canonical SMILES for (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid is CC[C@H](C(=O)O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1.
What is the InChIKey of (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid?
The InChIKey is SANDXEDMBGTFCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-13(15(20)21)17-7-8-18(14(19)10-17)9-11-3-5-12(16)6-4-11/h3-6,13H,2,7-10H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid?
(2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid has a molecular weight of 310.78 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid is sourced from PubChem (CID 129401535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).