1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

C25H32N4O — CID 124914079

IUPAC1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCCn1c(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)nc2ccccc21
InChIInChI=1S/C25H32N4O/c1-4-29-23-12-8-7-11-22(23)26-24(29)17-28-15-13-19(14-16-28)25(30)27-21-10-6-5-9-20(21)18(2)3/h5-12,18-19H,4,13-17H2,1-3H3,(H,27,30)
InChIKeyBJDMMXVGIGHVBS-UHFFFAOYSA-N
MW404.56 g/mol
LogP5.03
Rot. Bonds6

About 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide

1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (PubChem CID 124914079) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
PubChem CID124914079
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
SMILESCCn1c(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)nc2ccccc21
InChIInChI=1S/C25H32N4O/c1-4-29-23-12-8-7-11-22(23)26-24(29)17-28-15-13-19(14-16-28)25(30)27-21-10-6-5-9-20(21)18(2)3/h5-12,18-19H,4,13-17H2,1-3H3,(H,27,30)
InChIKeyBJDMMXVGIGHVBS-UHFFFAOYSA-N
XLogP5.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 124515969
1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 124914150
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(4-propylphenyl)piperidine-4-carboxamide
CID 124830583
N-(3,4-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 124830854
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 124515974
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124830464
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 124815123
1-(naphthalen-1-ylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 43923942
1-(cyclopropylmethyl)-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide
CID 171097073
(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]-N-phenylpiperidine-3-carboxamide
CID 124831148
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
(3S)-N-(2,5-dichlorophenyl)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 124830402

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide (CID 124914079) is 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is CCn1c(CN2CCC(C(=O)Nc3ccccc3C(C)C)CC2)nc2ccccc21.
What is the InChIKey of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
The InChIKey is BJDMMXVGIGHVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-4-29-23-12-8-7-11-22(23)26-24(29)17-28-15-13-19(14-16-28)25(30)27-21-10-6-5-9-20(21)18(2)3/h5-12,18-19H,4,13-17H2,1-3H3,(H,27,30).
What are the key properties of 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide?
1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide has a molecular weight of 404.56 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylbenzimidazol-2-yl)methyl]-N-(2-propan-2-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 124914079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).