(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide

C24H30N4O — CID 124807222

IUPAC(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C24H30N4O/c1-17(2)28-22-13-7-6-12-21(22)25-23(28)16-27-14-8-10-19(15-27)24(29)26-20-11-5-4-9-18(20)3/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyWSLGXEUJKVOUSJ-LJQANCHMSA-N
MW390.53 g/mol
LogP4.78
Rot. Bonds5

About (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide

(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 124807222) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID124807222
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C24H30N4O/c1-17(2)28-22-13-7-6-12-21(22)25-23(28)16-27-14-8-10-19(15-27)24(29)26-20-11-5-4-9-18(20)3/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3,(H,26,29)/t19-/m1/s1
InChIKeyWSLGXEUJKVOUSJ-LJQANCHMSA-N
XLogP4.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124819832
(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124822913
(3R)-N-(4-chlorophenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124820017
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 124819999
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-3-carboxamide
CID 124822331
(3S)-N-[2-(3-methylphenyl)ethyl]-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124816166
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124807103
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124805083
(3S)-1-[[1-(3-bromophenyl)benzimidazol-2-yl]methyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 124817199
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124785350
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124590860

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 124807222) is (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is Cc1ccccc1NC(=O)[C@@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1.
What is the InChIKey of (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is WSLGXEUJKVOUSJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4O/c1-17(2)28-22-13-7-6-12-21(22)25-23(28)16-27-14-8-10-19(15-27)24(29)26-20-11-5-4-9-18(20)3/h4-7,9,11-13,17,19H,8,10,14-16H2,1-3H3,(H,26,29)/t19-/m1/s1.
What are the key properties of (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124807222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).