1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide

C30H31ClN4O2 — CID 72736888

IUPAC1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H31ClN4O2/c31-26-9-7-23(8-10-26)21-35-27-6-2-1-5-25(27)20-28(35)30(37)34-18-13-24(14-19-34)29(36)33-15-3-4-22-11-16-32-17-12-22/h1-2,5-12,16-17,20,24H,3-4,13-15,18-19,21H2,(H,33,36)
InChIKeyUUEUBXPKYDXYQY-UHFFFAOYSA-N
MW515.06 g/mol
LogP5.34
Rot. Bonds8

About 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide

1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 72736888) has the molecular formula C30H31ClN4O2 and a molecular weight of 515.06 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID72736888
Molecular FormulaC30H31ClN4O2
Molecular Weight515.06 g/mol
Exact Mass514.21
IUPAC Name1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C30H31ClN4O2/c31-26-9-7-23(8-10-26)21-35-27-6-2-1-5-25(27)20-28(35)30(37)34-18-13-24(14-19-34)29(36)33-15-3-4-22-11-16-32-17-12-22/h1-2,5-12,16-17,20,24H,3-4,13-15,18-19,21H2,(H,33,36)
InChIKeyUUEUBXPKYDXYQY-UHFFFAOYSA-N
XLogP5.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.06
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide (CID 72736888) is 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide is O=C(NCCCc1ccncc1)C1CCN(C(=O)c2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is UUEUBXPKYDXYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O2/c31-26-9-7-23(8-10-26)21-35-27-6-2-1-5-25(27)20-28(35)30(37)34-18-13-24(14-19-34)29(36)33-15-3-4-22-11-16-32-17-12-22/h1-2,5-12,16-17,20,24H,3-4,13-15,18-19,21H2,(H,33,36).
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide?
1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 515.06 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]-N-(3-pyridin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 72736888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).