7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid

C24H29ClN2O3 — CID 23047802

IUPAC7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid
SMILESO=C(O)C(CCCCCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29ClN2O3/c25-20-13-11-19(12-14-20)7-3-1-6-10-22(24(29)30)23(28)27-17-15-26(16-18-27)21-8-4-2-5-9-21/h2,4-5,8-9,11-14,22H,1,3,6-7,10,15-18H2,(H,29,30)
InChIKeySZCPYFASPIKRLS-UHFFFAOYSA-N
MW428.96 g/mol
LogP4.49
Rot. Bonds9

About 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid

7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid (PubChem CID 23047802) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid
PubChem CID23047802
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid
SMILESO=C(O)C(CCCCCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29ClN2O3/c25-20-13-11-19(12-14-20)7-3-1-6-10-22(24(29)30)23(28)27-17-15-26(16-18-27)21-8-4-2-5-9-21/h2,4-5,8-9,11-14,22H,1,3,6-7,10,15-18H2,(H,29,30)
InChIKeySZCPYFASPIKRLS-UHFFFAOYSA-N
XLogP4.49
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.96
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic 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

7-(4-chlorophenyl)-2-(morpholine-4-carbonyl)heptanoic acid;7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid
CID 160947593
2-[4-(4-chlorophenyl)butyl]propanedioic acid
CID 135387064
2-[2-(4-chlorophenyl)ethylamino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002113
(2S)-2-[(4-chlorophenyl)methyl-methylamino]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 40954300
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
2-(8-phenyloctyl)propanedioic acid
CID 20544236
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
(2S)-2-(4-chloroanilino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 25351776
2-(4-chlorophenyl)-N-(4-phenylpiperazine-1-carbothioyl)acetamide
CID 17175932
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
4-[4-(4-chlorophenyl)butyl]piperazine-1-carboxylic acid
CID 69457869
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid?
The IUPAC name of 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid (CID 23047802) is 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid.
What is the SMILES notation for 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid?
The canonical SMILES for 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid is O=C(O)C(CCCCCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid?
The InChIKey is SZCPYFASPIKRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c25-20-13-11-19(12-14-20)7-3-1-6-10-22(24(29)30)23(28)27-17-15-26(16-18-27)21-8-4-2-5-9-21/h2,4-5,8-9,11-14,22H,1,3,6-7,10,15-18H2,(H,29,30).
What are the key properties of 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid?
7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid has a molecular weight of 428.96 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid is sourced from PubChem (CID 23047802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).