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

C21H24N4O — CID 124590860

IUPAC(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESCn1c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-24-19-12-6-5-11-18(19)23-20(24)15-25-13-7-8-16(14-25)21(26)22-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyBRGKQKBCMBQDJJ-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.42
Rot. Bonds4

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

(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 124590860) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
PubChem CID124590860
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESCn1c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-24-19-12-6-5-11-18(19)23-20(24)15-25-13-7-8-16(14-25)21(26)22-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,22,26)/t16-/m1/s1
InChIKeyBRGKQKBCMBQDJJ-MRXNPFEDSA-N
XLogP3.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.42
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-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
(3R)-N-cyclohexyl-1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124803554
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124785350
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 124786185
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
(3S)-N-(4-chlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831312
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 124831327
(3R)-N-(4-bromophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124831109
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 124819999

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide (CID 124590860) is (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide is Cn1c(CN2CCC[C@@H](C(=O)Nc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is BRGKQKBCMBQDJJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-19-12-6-5-11-18(19)23-20(24)15-25-13-7-8-16(14-25)21(26)22-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,22,26)/t16-/m1/s1.
What are the key properties of (3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide?
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.42, 4 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-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 124590860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).