3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide

C21H32N4O — CID 125166113

IUPAC3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide
SMILESCc1c(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)cccc1N1CCCC1
InChIInChI=1S/C21H32N4O/c1-16-8-3-4-13-25(16)18-14-24(15-18)21(26)22-19-9-7-10-20(17(19)2)23-11-5-6-12-23/h7,9-10,16,18H,3-6,8,11-15H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyNJNQKUGXRYQKDV-INIZCTEOSA-N
MW356.51 g/mol
LogP3.69
Rot. Bonds3

About 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide

3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide (PubChem CID 125166113) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide
PubChem CID125166113
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide
SMILESCc1c(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)cccc1N1CCCC1
InChIInChI=1S/C21H32N4O/c1-16-8-3-4-13-25(16)18-14-24(15-18)21(26)22-19-9-7-10-20(17(19)2)23-11-5-6-12-23/h7,9-10,16,18H,3-6,8,11-15H2,1-2H3,(H,22,26)/t16-/m0/s1
InChIKeyNJNQKUGXRYQKDV-INIZCTEOSA-N
XLogP3.69
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide with MolForge

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Related Compounds

N-(2-chloro-6-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97268968
N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97435446
N-[(2-methylphenyl)methyl]-3-(2-methylpiperidin-1-yl)azetidine-1-carboxamide
CID 119074138
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125160828
N-[3-(furan-2-yl)phenyl]-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125176510
3-(2-methylpiperidin-1-yl)-N-[2-(1-methylpyrrol-2-yl)ethyl]azetidine-1-carboxamide
CID 122562542
(2S)-2-ethyl-N-(2-methyl-3-pyrrolidin-1-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 97437690
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)piperidine-1-carboxamide
CID 45245976
N-(1H-indazol-5-yl)-3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97454764
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide (CID 125166113) is 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide is Cc1c(NC(=O)N2CC(N3CCCC[C@@H]3C)C2)cccc1N1CCCC1.
What is the InChIKey of 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide?
The InChIKey is NJNQKUGXRYQKDV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H32N4O/c1-16-8-3-4-13-25(16)18-14-24(15-18)21(26)22-19-9-7-10-20(17(19)2)23-11-5-6-12-23/h7,9-10,16,18H,3-6,8,11-15H2,1-2H3,(H,22,26)/t16-/m0/s1.
What are the key properties of 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide?
3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-methylpiperidin-1-yl]-N-(2-methyl-3-pyrrolidin-1-ylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 125166113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).