1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide

C23H27N3O — CID 177344342

IUPAC1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)NC3CCN(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C23H27N3O/c1-17-7-9-18(10-8-17)15-26-16-21(20-5-3-4-6-22(20)26)23(27)24-19-11-13-25(2)14-12-19/h3-10,16,19H,11-15H2,1-2H3,(H,24,27)
InChIKeyOCLIRBXZTAFPMK-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.82
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide

1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide (PubChem CID 177344342) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide
PubChem CID177344342
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)NC3CCN(C)CC3)c3ccccc32)cc1
InChIInChI=1S/C23H27N3O/c1-17-7-9-18(10-8-17)15-26-16-21(20-5-3-4-6-22(20)26)23(27)24-19-11-13-25(2)14-12-19/h3-10,16,19H,11-15H2,1-2H3,(H,24,27)
InChIKeyOCLIRBXZTAFPMK-UHFFFAOYSA-N
XLogP3.82
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-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

1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
4-[1-[(4-methylphenyl)methyl]indol-3-yl]-2,4-dioxobutanoic acid
CID 73292047
N-cyclohexyl-1-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 71462946
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
N-[2-(4-chloro-3-fluorophenyl)ethyl]-1-[(4-methylphenyl)methyl]indole-3-carboxamide
CID 166984638
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
1-benzyl-2,5-dimethyl-N-(1-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 78809512
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-1-(2-methylpropyl)indole-3-carboxamide
CID 56568890
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
1-benzyl-N-propylindole-3-carboxamide
CID 24654500

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide (CID 177344342) is 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide is Cc1ccc(Cn2cc(C(=O)NC3CCN(C)CC3)c3ccccc32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide?
The InChIKey is OCLIRBXZTAFPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-7-9-18(10-8-17)15-26-16-21(20-5-3-4-6-22(20)26)23(27)24-19-11-13-25(2)14-12-19/h3-10,16,19H,11-15H2,1-2H3,(H,24,27).
What are the key properties of 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide?
1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)indole-3-carboxamide is sourced from PubChem (CID 177344342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).