(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide

C24H30N4O — CID 124785350

IUPAC(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
SMILESCCCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C24H30N4O/c1-3-9-18-10-4-5-12-20(18)26-24(29)19-11-8-15-28(16-19)17-23-25-21-13-6-7-14-22(21)27(23)2/h4-7,10,12-14,19H,3,8-9,11,15-17H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyAVMPNLBACSHUOB-LJQANCHMSA-N
MW390.53 g/mol
LogP4.38
Rot. Bonds6

About (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide

(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide (PubChem CID 124785350) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
PubChem CID124785350
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
SMILESCCCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C24H30N4O/c1-3-9-18-10-4-5-12-20(18)26-24(29)19-11-8-15-28(16-19)17-23-25-21-13-6-7-14-22(21)27(23)2/h4-7,10,12-14,19H,3,8-9,11,15-17H2,1-2H3,(H,26,29)/t19-/m1/s1
InChIKeyAVMPNLBACSHUOB-LJQANCHMSA-N
XLogP4.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124814766
(3R)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124836000
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860
(3R)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124914151
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
(3R)-1-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 124835412
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124814723
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124807222
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124822331
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide (CID 124785350) is (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide is CCCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1.
What is the InChIKey of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide?
The InChIKey is AVMPNLBACSHUOB-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4O/c1-3-9-18-10-4-5-12-20(18)26-24(29)19-11-8-15-28(16-19)17-23-25-21-13-6-7-14-22(21)27(23)2/h4-7,10,12-14,19H,3,8-9,11,15-17H2,1-2H3,(H,26,29)/t19-/m1/s1.
What are the key properties of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide?
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 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-(2-propylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 124785350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).