(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

C21H24N4O2 — CID 41172691

IUPAC(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C21H24N4O2/c1-27-17-8-4-6-15(12-17)13-22-21(26)25-11-5-7-16(14-25)20-23-18-9-2-3-10-19(18)24-20/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,26)(H,23,24)/t16-/m1/s1
InChIKeyAVTFULGOKSOHIF-MRXNPFEDSA-N
MW364.45 g/mol
LogP3.66
Rot. Bonds4

About (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide

(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 41172691) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID41172691
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C21H24N4O2/c1-27-17-8-4-6-15(12-17)13-22-21(26)25-11-5-7-16(14-25)20-23-18-9-2-3-10-19(18)24-20/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,26)(H,23,24)/t16-/m1/s1
InChIKeyAVTFULGOKSOHIF-MRXNPFEDSA-N
XLogP3.66
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-benzylpiperidine-1-carboxamide
CID 42934572
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 33121432
methyl N-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 94179831
3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,6-dimethoxyphenyl)methanone
CID 110404095
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 40973368
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 41172691) is (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1cccc(CNC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is AVTFULGOKSOHIF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-17-8-4-6-15(12-17)13-22-21(26)25-11-5-7-16(14-25)20-23-18-9-2-3-10-19(18)24-20/h2-4,6,8-10,12,16H,5,7,11,13-14H2,1H3,(H,22,26)(H,23,24)/t16-/m1/s1.
What are the key properties of (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide?
(3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-benzimidazol-2-yl)-N-[(3-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 41172691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).