3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide

C24H29N3O — CID 11291810

IUPAC3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H29N3O/c25-24(28)20-9-10-23-22(16-20)21(17-26-23)8-4-5-13-27-14-11-19(12-15-27)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,26H,4-5,8,11-15H2,(H2,25,28)
InChIKeyRBDWWKPSSYIBCB-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.47
Rot. Bonds7

About 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide

3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide (PubChem CID 11291810) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide
PubChem CID11291810
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H29N3O/c25-24(28)20-9-10-23-22(16-20)21(17-26-23)8-4-5-13-27-14-11-19(12-15-27)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,26H,4-5,8,11-15H2,(H2,25,28)
InChIKeyRBDWWKPSSYIBCB-UHFFFAOYSA-N
XLogP4.47
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide 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

CID 24958200
CID 24958200
CID 33625
CID 33625
CID 77992
CID 77992
CID 11494412
CID 11494412
CID 2396
CID 2396
CID 6433122
CID 6433122
CID 397
CID 397
CID 9939865
CID 9939865
CID 14973220
CID 14973220
CID 4375
CID 4375
CID 57364
CID 57364
CID 9839190
CID 9839190

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide?
The IUPAC name of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide (CID 11291810) is 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide?
The canonical SMILES for 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide is NC(=O)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1.
What is the InChIKey of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide?
The InChIKey is RBDWWKPSSYIBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c25-24(28)20-9-10-23-22(16-20)21(17-26-23)8-4-5-13-27-14-11-19(12-15-27)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,26H,4-5,8,11-15H2,(H2,25,28).
What are the key properties of 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide?
3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenylpiperidin-1-yl)butyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 11291810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).