(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide

C21H32N4O — CID 124814723

IUPAC(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C21H32N4O/c1-4-12-25(13-5-2)21(26)17-9-8-14-24(15-17)16-20-22-18-10-6-7-11-19(18)23(20)3/h6-7,10-11,17H,4-5,8-9,12-16H2,1-3H3/t17-/m1/s1
InChIKeyWMXPCLWEAZRZKZ-QGZVFWFLSA-N
MW356.51 g/mol
LogP3.43
Rot. Bonds7

About (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide

(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide (PubChem CID 124814723) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
PubChem CID124814723
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
SMILESCCCN(CCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C21H32N4O/c1-4-12-25(13-5-2)21(26)17-9-8-14-24(15-17)16-20-22-18-10-6-7-11-19(18)23(20)3/h6-7,10-11,17H,4-5,8-9,12-16H2,1-3H3/t17-/m1/s1
InChIKeyWMXPCLWEAZRZKZ-QGZVFWFLSA-N
XLogP3.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124807103
(3S)-N-butyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 124803083
(3R)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124808449
(3S)-N-butyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124810168
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
(3R)-N-ethyl-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-propylpiperidine-3-carboxamide
CID 124824164
(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
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124785350
(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 (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide (CID 124814723) is (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide is CCCN(CCC)C(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1.
What is the InChIKey of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide?
The InChIKey is WMXPCLWEAZRZKZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N4O/c1-4-12-25(13-5-2)21(26)17-9-8-14-24(15-17)16-20-22-18-10-6-7-11-19(18)23(20)3/h6-7,10-11,17H,4-5,8-9,12-16H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide?
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide is sourced from PubChem (CID 124814723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).