(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide

C23H28N4O — CID 124915385

IUPAC(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCn1c(CN2CCC[C@H](C(=O)NCCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C23H28N4O/c1-26-21-12-6-5-11-20(21)25-22(26)17-27-15-7-10-19(16-27)23(28)24-14-13-18-8-3-2-4-9-18/h2-6,8-9,11-12,19H,7,10,13-17H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyIZAVQYAFFCJJEB-IBGZPJMESA-N
MW376.50 g/mol
LogP3.14
Rot. Bonds6

About (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide

(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 124915385) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID124915385
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCn1c(CN2CCC[C@H](C(=O)NCCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C23H28N4O/c1-26-21-12-6-5-11-20(21)25-22(26)17-27-15-7-10-19(16-27)23(28)24-14-13-18-8-3-2-4-9-18/h2-6,8-9,11-12,19H,7,10,13-17H2,1H3,(H,24,28)/t19-/m0/s1
InChIKeyIZAVQYAFFCJJEB-IBGZPJMESA-N
XLogP3.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
(3S)-N-[2-(3-methylphenyl)ethyl]-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124816166
(3S)-1-(furan-2-ylmethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97282886
(3R)-1-(2-amino-2-oxoethyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]piperidine-3-carboxamide
CID 97148275
(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-propylphenyl)piperidine-3-carboxamide
CID 124785350
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124783119
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
N-[3-(1-methylbenzimidazol-2-yl)propyl]-1-propanoylpiperidine-3-carboxamide
CID 72904958
(3R)-1-(2-methoxyacetyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97116576

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 124915385) is (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide is Cn1c(CN2CCC[C@H](C(=O)NCCc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is IZAVQYAFFCJJEB-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N4O/c1-26-21-12-6-5-11-20(21)25-22(26)17-27-15-7-10-19(16-27)23(28)24-14-13-18-8-3-2-4-9-18/h2-6,8-9,11-12,19H,7,10,13-17H2,1H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 124915385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).