N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C18H23N7O — CID 119889989

IUPACN-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1nc2ccccc2n1C
InChIInChI=1S/C18H23N7O/c1-12(17-21-14-5-3-4-6-16(14)24(17)2)20-18(26)15-11-25(23-22-15)13-7-9-19-10-8-13/h3-6,11-13,19H,7-10H2,1-2H3,(H,20,26)
InChIKeyCYZIKZFPUPMRKL-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.58
Rot. Bonds4

About N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119889989) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119889989
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1nc2ccccc2n1C
InChIInChI=1S/C18H23N7O/c1-12(17-21-14-5-3-4-6-16(14)24(17)2)20-18(26)15-11-25(23-22-15)13-7-9-19-10-8-13/h3-6,11-13,19H,7-10H2,1-2H3,(H,20,26)
InChIKeyCYZIKZFPUPMRKL-UHFFFAOYSA-N
XLogP1.58
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-(1-ethylbenzimidazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119678510
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
1-piperidin-4-yl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]triazole-4-carboxamide;dihydrochloride
CID 119888822
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119889989) is N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is CC(NC(=O)c1cn(C2CCNCC2)nn1)c1nc2ccccc2n1C.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is CYZIKZFPUPMRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-12(17-21-14-5-3-4-6-16(14)24(17)2)20-18(26)15-11-25(23-22-15)13-7-9-19-10-8-13/h3-6,11-13,19H,7-10H2,1-2H3,(H,20,26).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119889989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).