4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid

C24H29ClN2O3 — CID 14423689

IUPAC4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc(CCCCN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H29ClN2O3/c25-21-5-3-6-22(18-21)27-16-14-26(15-17-27)13-2-1-4-19-7-9-20(10-8-19)23(28)11-12-24(29)30/h3,5-10,18H,1-2,4,11-17H2,(H,29,30)
InChIKeyLFEXJOZXXZIDRX-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.53
Rot. Bonds10

About 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid

4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid (PubChem CID 14423689) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid
PubChem CID14423689
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)c1ccc(CCCCN2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C24H29ClN2O3/c25-21-5-3-6-22(18-21)27-16-14-26(15-17-27)13-2-1-4-19-7-9-20(10-8-19)23(28)11-12-24(29)30/h3,5-10,18H,1-2,4,11-17H2,(H,29,30)
InChIKeyLFEXJOZXXZIDRX-UHFFFAOYSA-N
XLogP4.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic 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

4-oxo-4-[4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phenyl]butanoic acid
CID 14423695
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-8-phenyloctan-3-ol
CID 69351262
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 851796
5-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]oxolan-2-one
CID 15104522
6-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-3,4-dihydro-1H-quinolin-2-one
CID 13084721
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-[4-[(dimethylamino)methyl]phenyl]butane-1,4-dione
CID 121448930
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-methylpentan-1-amine
CID 62424615
2-amino-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]ethanone
CID 83971734
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid (CID 14423689) is 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid is O=C(O)CCC(=O)c1ccc(CCCCN2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid?
The InChIKey is LFEXJOZXXZIDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c25-21-5-3-6-22(18-21)27-16-14-26(15-17-27)13-2-1-4-19-7-9-20(10-8-19)23(28)11-12-24(29)30/h3,5-10,18H,1-2,4,11-17H2,(H,29,30).
What are the key properties of 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid?
4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid has a molecular weight of 428.96 g/mol, XLogP of 4.53, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]phenyl]-4-oxobutanoic acid is sourced from PubChem (CID 14423689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).