(3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide

C22H34N4O — CID 124803083

IUPAC(3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCCCN(C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C)C1)C(C)C
InChIInChI=1S/C22H34N4O/c1-5-6-14-26(17(2)3)22(27)18-10-9-13-25(15-18)16-21-23-19-11-7-8-12-20(19)24(21)4/h7-8,11-12,17-18H,5-6,9-10,13-16H2,1-4H3/t18-/m0/s1
InChIKeyDVZZEAQCQMHYAE-SFHVURJKSA-N
MW370.54 g/mol
LogP3.82
Rot. Bonds7

About (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide

(3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 124803083) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID124803083
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name(3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCCCCN(C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C)C1)C(C)C
InChIInChI=1S/C22H34N4O/c1-5-6-14-26(17(2)3)22(27)18-10-9-13-25(15-18)16-21-23-19-11-7-8-12-20(19)24(21)4/h7-8,11-12,17-18H,5-6,9-10,13-16H2,1-4H3/t18-/m0/s1
InChIKeyDVZZEAQCQMHYAE-SFHVURJKSA-N
XLogP3.82
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-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)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124814723
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124807103
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124814766
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
(4-chlorophenyl)-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 45226307
(3S)-N-butyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124810168
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-ethylpiperidine-3-carboxamide
CID 124823906
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124785350
1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-butyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124809772
(3R)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N,N-dibutylpiperidine-3-carboxamide
CID 124825872

Frequently Asked Questions

What is the IUPAC name of (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide (CID 124803083) is (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide is CCCCN(C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C)C1)C(C)C.
What is the InChIKey of (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is DVZZEAQCQMHYAE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H34N4O/c1-5-6-14-26(17(2)3)22(27)18-10-9-13-25(15-18)16-21-23-19-11-7-8-12-20(19)24(21)4/h7-8,11-12,17-18H,5-6,9-10,13-16H2,1-4H3/t18-/m0/s1.
What are the key properties of (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide?
(3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124803083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).