2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid

C14H17ClN2O3 — CID 62317082

IUPAC2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-10(14(19)20)16-5-7-17(8-6-16)13(18)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8H2,1H3,(H,19,20)
InChIKeyFNTGCOUPRGAWTI-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.57
Rot. Bonds3

About 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid

2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid (PubChem CID 62317082) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
PubChem CID62317082
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H17ClN2O3/c1-10(14(19)20)16-5-7-17(8-6-16)13(18)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8H2,1H3,(H,19,20)
InChIKeyFNTGCOUPRGAWTI-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propanoic acid
CID 62317426
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 55544240
(3-chlorophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
CID 4743763
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
2-[4-(3,5-dibromobenzoyl)piperazin-1-yl]propanoic acid
CID 107971361
N-[3-[4-(3-chlorobenzoyl)piperazine-1-carbonyl]phenyl]acetamide
CID 33140395
4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120559709
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349808
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide
CID 134063131
(2S)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 124686905

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid (CID 62317082) is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid?
The InChIKey is FNTGCOUPRGAWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-10(14(19)20)16-5-7-17(8-6-16)13(18)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8H2,1H3,(H,19,20).
What are the key properties of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid?
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid has a molecular weight of 296.75 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).