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

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Related Compounds

N-(1H-indol-4-ylmethyl)-N-methyl-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166226567
N-(1H-indol-4-ylmethyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790535
N-[2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]ethyl]-1H-indole-4-carboxamide
CID 42651225
2,3-dihydroxy-N-(1H-indol-4-ylmethyl)-N-methylbenzamide
CID 122149826
(3S)-N-(1H-indol-4-ylmethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26321250
2-(1,1-dioxothiolan-3-yl)-N-(1H-indol-4-ylmethyl)-N-methylacetamide
CID 136536055
1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
CID 115379106
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
N-cyclopropyl-N-(1H-indol-4-ylmethyl)-3-phenylpropanamide
CID 39341773
N-benzyl-1-(4-chlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 17082168
(3R)-1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 42565397
N-methyl-N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 115159561

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).