N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide

C22H23N3O2 — CID 171536234

IUPACN-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide
SMILESO=C(c1ccc(CNC(=O)n2ccc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C22H23N3O2/c26-21(24-13-4-1-5-14-24)19-10-8-17(9-11-19)16-23-22(27)25-15-12-18-6-2-3-7-20(18)25/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,23,27)
InChIKeyLPSJPMLGWZMIAJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.03
Rot. Bonds3

About N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide (PubChem CID 171536234) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide
PubChem CID171536234
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide
SMILESO=C(c1ccc(CNC(=O)n2ccc3ccccc32)cc1)N1CCCCC1
InChIInChI=1S/C22H23N3O2/c26-21(24-13-4-1-5-14-24)19-10-8-17(9-11-19)16-23-22(27)25-15-12-18-6-2-3-7-20(18)25/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,23,27)
InChIKeyLPSJPMLGWZMIAJ-UHFFFAOYSA-N
XLogP4.03
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-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

N-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]indole-1-carboxamide
CID 171536260
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]indole-1-carboxamide
CID 171536240
1-benzyl-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 110953717
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
N-benzylazonane-1-carboxamide
CID 130689649
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide?
The IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide (CID 171536234) is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide.
What is the SMILES notation for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide?
The canonical SMILES for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide is O=C(c1ccc(CNC(=O)n2ccc3ccccc32)cc1)N1CCCCC1.
What is the InChIKey of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide?
The InChIKey is LPSJPMLGWZMIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(24-13-4-1-5-14-24)19-10-8-17(9-11-19)16-23-22(27)25-15-12-18-6-2-3-7-20(18)25/h2-3,6-12,15H,1,4-5,13-14,16H2,(H,23,27).
What are the key properties of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide?
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]indole-1-carboxamide is sourced from PubChem (CID 171536234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).