(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide

C21H24N4O — CID 51966220

IUPAC(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
SMILESCn1c([C@@H]2CCCCN2C(=O)NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-24-18-12-6-5-11-17(18)23-20(24)19-13-7-8-14-25(19)21(26)22-15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyVRPWFYPNJRRDEZ-IBGZPJMESA-N
MW348.45 g/mol
LogP4.01
Rot. Bonds3

About (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide

(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 51966220) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
PubChem CID51966220
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
SMILESCn1c([C@@H]2CCCCN2C(=O)NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C21H24N4O/c1-24-18-12-6-5-11-17(18)23-20(24)19-13-7-8-14-25(19)21(26)22-15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyVRPWFYPNJRRDEZ-IBGZPJMESA-N
XLogP4.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-methoxyphenyl)methyl]-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 125123416
furan-2-yl-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91822619
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571162
[(1S)-cyclohex-3-en-1-yl]-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 94571163
2-(1-ethylbenzimidazol-2-yl)-N-[(3-propan-2-yloxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 86880650
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
1-[(2S)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 94640388
N-[1-[2-[(2R)-2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]indol-4-yl]acetamide
CID 125123549
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759
[(1S,2R)-2-ethoxycyclopropyl]-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124808785
3-[2-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 56821041

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide (CID 51966220) is (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide is Cn1c([C@@H]2CCCCN2C(=O)NCc2ccccc2)nc2ccccc21.
What is the InChIKey of (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is VRPWFYPNJRRDEZ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N4O/c1-24-18-12-6-5-11-17(18)23-20(24)19-13-7-8-14-25(19)21(26)22-15-16-9-3-2-4-10-16/h2-6,9-12,19H,7-8,13-15H2,1H3,(H,22,26)/t19-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide?
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 51966220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).