N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide

C24H30N4O — CID 46106509

IUPACN-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)Cn1c(N2CCCC(C(=O)NCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C24H30N4O/c1-18(2)16-28-22-13-7-6-12-21(22)26-24(28)27-14-8-11-20(17-27)23(29)25-15-19-9-4-3-5-10-19/h3-7,9-10,12-13,18,20H,8,11,14-17H2,1-2H3,(H,25,29)
InChIKeyLMEVONQCIDCGNX-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.23
Rot. Bonds6

About N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide

N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide (PubChem CID 46106509) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
PubChem CID46106509
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
SMILESCC(C)Cn1c(N2CCCC(C(=O)NCc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C24H30N4O/c1-18(2)16-28-22-13-7-6-12-21(22)26-24(28)27-14-8-11-20(17-27)23(29)25-15-19-9-4-3-5-10-19/h3-7,9-10,12-13,18,20H,8,11,14-17H2,1-2H3,(H,25,29)
InChIKeyLMEVONQCIDCGNX-UHFFFAOYSA-N
XLogP4.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(4-fluorophenyl)methyl]-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide
CID 93015032
(3S)-1-[1-(3-methylbutyl)benzimidazol-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93015133
1-(1-butylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46108668
(3R)-1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 30454609
(3S)-1-(1-butylbenzimidazol-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 93016426
1-(1-cyclopentylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 46106647
(3S)-1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 93015043
(3S)-1-(1-butylbenzimidazol-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 93016402
1-(1-ethylbenzimidazol-2-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46959589
(3S)-1-(1-butylbenzimidazol-2-yl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93016409
1-[1-(cyclohexylmethyl)benzimidazol-2-yl]-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42880141
methyl 2-[[(3R)-1-(1-ethylbenzimidazol-2-yl)piperidine-3-carbonyl]amino]acetate
CID 51494618

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide (CID 46106509) is N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide is CC(C)Cn1c(N2CCCC(C(=O)NCc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide?
The InChIKey is LMEVONQCIDCGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18(2)16-28-22-13-7-6-12-21(22)26-24(28)27-14-8-11-20(17-27)23(29)25-15-19-9-4-3-5-10-19/h3-7,9-10,12-13,18,20H,8,11,14-17H2,1-2H3,(H,25,29).
What are the key properties of N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide?
N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-(2-methylpropyl)benzimidazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 46106509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).