(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide

C23H36N4O — CID 124807103

IUPAC(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C23H36N4O/c1-5-13-26(14-6-2)23(28)19-10-9-15-25(16-19)17-22-24-20-11-7-8-12-21(20)27(22)18(3)4/h7-8,11-12,18-19H,5-6,9-10,13-17H2,1-4H3/t19-/m0/s1
InChIKeyPTPFOVDUAWOSRJ-IBGZPJMESA-N
MW384.57 g/mol
LogP4.48
Rot. Bonds8

About (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide

(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide (PubChem CID 124807103) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
PubChem CID124807103
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C23H36N4O/c1-5-13-26(14-6-2)23(28)19-10-9-15-25(16-19)17-22-24-20-11-7-8-12-21(20)27(22)18(3)4/h7-8,11-12,18-19H,5-6,9-10,13-17H2,1-4H3/t19-/m0/s1
InChIKeyPTPFOVDUAWOSRJ-IBGZPJMESA-N
XLogP4.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-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

1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-4-carboxamide
CID 124808590
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124814723
(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124822913
(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124808449
(4-butylpiperazin-1-yl)-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124822047
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124822331
(3S)-N-butyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124810168
(3R)-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124824164
(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124807222
[4-(2-ethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124821934
(3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124820017
(3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 124803083

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide (CID 124807103) is (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide is CCCN(CCC)C(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1.
What is the InChIKey of (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide?
The InChIKey is PTPFOVDUAWOSRJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H36N4O/c1-5-13-26(14-6-2)23(28)19-10-9-15-25(16-19)17-22-24-20-11-7-8-12-21(20)27(22)18(3)4/h7-8,11-12,18-19H,5-6,9-10,13-17H2,1-4H3/t19-/m0/s1.
What are the key properties of (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide?
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide is sourced from PubChem (CID 124807103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).