N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide

C22H23N3O2 — CID 166397726

IUPACN-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide
SMILESCN(Cc1cccc2[nH]ccc12)C(=O)C1CCC(=O)N(c2ccccc2)C1
InChIInChI=1S/C22H23N3O2/c1-24(14-16-6-5-9-20-19(16)12-13-23-20)22(27)17-10-11-21(26)25(15-17)18-7-3-2-4-8-18/h2-9,12-13,17,23H,10-11,14-15H2,1H3
InChIKeyKDKUGIPKJCGXPL-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.57
Rot. Bonds4

About N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide

N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide (PubChem CID 166397726) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide
PubChem CID166397726
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC NameN-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide
SMILESCN(Cc1cccc2[nH]ccc12)C(=O)C1CCC(=O)N(c2ccccc2)C1
InChIInChI=1S/C22H23N3O2/c1-24(14-16-6-5-9-20-19(16)12-13-23-20)22(27)17-10-11-21(26)25(15-17)18-7-3-2-4-8-18/h2-9,12-13,17,23H,10-11,14-15H2,1H3
InChIKeyKDKUGIPKJCGXPL-UHFFFAOYSA-N
XLogP3.57
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide (CID 166397726) is N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide is CN(Cc1cccc2[nH]ccc12)C(=O)C1CCC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide?
The InChIKey is KDKUGIPKJCGXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-24(14-16-6-5-9-20-19(16)12-13-23-20)22(27)17-10-11-21(26)25(15-17)18-7-3-2-4-8-18/h2-9,12-13,17,23H,10-11,14-15H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide?
N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-N-methyl-6-oxo-1-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 166397726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).