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

C18H26N4O — CID 124822913

IUPAC(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C18H26N4O/c1-13(2)22-16-9-5-4-8-15(16)20-17(22)12-21-10-6-7-14(11-21)18(23)19-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyYZIXIMOQRSUBIC-AWEZNQCLSA-N
MW314.43 g/mol
LogP2.58
Rot. Bonds4

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

(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 124822913) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID124822913
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1
InChIInChI=1S/C18H26N4O/c1-13(2)22-16-9-5-4-8-15(16)20-17(22)12-21-10-6-7-14(11-21)18(23)19-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyYZIXIMOQRSUBIC-AWEZNQCLSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-methylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124807222
(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
(3R)-N-(2,4-dimethylphenyl)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124819832
(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N,N-dipropylpiperidine-3-carboxamide
CID 124807103
(3S)-N-[2-(3-methylphenyl)ethyl]-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124816166
(4-butylpiperazin-1-yl)-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124822047
(3R)-1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 124805025
[4-(2-ethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124821934
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124820810
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124805083

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 124822913) is (3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is CNC(=O)[C@H]1CCCN(Cc2nc3ccccc3n2C(C)C)C1.
What is the InChIKey of (3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is YZIXIMOQRSUBIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)22-16-9-5-4-8-15(16)20-17(22)12-21-10-6-7-14(11-21)18(23)19-3/h4-5,8-9,13-14H,6-7,10-12H2,1-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of (3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide?
(3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 124822913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).