N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

C24H27N3O2 — CID 45203882

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1cc2cc(CNC(=O)C3CCC(=O)N(CCc4ccccc4)C3)ccc2[nH]1
InChIInChI=1S/C24H27N3O2/c1-17-13-21-14-19(7-9-22(21)26-17)15-25-24(29)20-8-10-23(28)27(16-20)12-11-18-5-3-2-4-6-18/h2-7,9,13-14,20,26H,8,10-12,15-16H2,1H3,(H,25,29)
InChIKeyYQPKWAUQNYKBJL-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.57
Rot. Bonds6

About N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide

N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 45203882) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID45203882
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
SMILESCc1cc2cc(CNC(=O)C3CCC(=O)N(CCc4ccccc4)C3)ccc2[nH]1
InChIInChI=1S/C24H27N3O2/c1-17-13-21-14-19(7-9-22(21)26-17)15-25-24(29)20-8-10-23(28)27(16-20)12-11-18-5-3-2-4-6-18/h2-7,9,13-14,20,26H,8,10-12,15-16H2,1H3,(H,25,29)
InChIKeyYQPKWAUQNYKBJL-UHFFFAOYSA-N
XLogP3.57
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-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

(3R)-N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 25395723
N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790154
(3S)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 136748649
N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790535
6-oxo-1-(2-phenylethyl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 45199030
N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56701349
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
N-[(3-methoxyphenyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51153764
N-(2-hydroxyethyl)-1-[2-(4-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 72920179
(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide (CID 45203882) is N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is Cc1cc2cc(CNC(=O)C3CCC(=O)N(CCc4ccccc4)C3)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is YQPKWAUQNYKBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-13-21-14-19(7-9-22(21)26-17)15-25-24(29)20-8-10-23(28)27(16-20)12-11-18-5-3-2-4-6-18/h2-7,9,13-14,20,26H,8,10-12,15-16H2,1H3,(H,25,29).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 45203882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).