N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H23ClN8O — CID 119822395

IUPACN-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C18H22N8O.ClH/c1-13(16-11-25(23-21-16)14-5-3-2-4-6-14)20-18(27)17-12-26(24-22-17)15-7-9-19-10-8-15;/h2-6,11-13,15,19H,7-10H2,1H3,(H,20,27);1H
InChIKeyVQDSUNNZOFRWRP-UHFFFAOYSA-N
MW402.89 g/mol
LogP1.70
Rot. Bonds5

About N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119822395) has the molecular formula C18H23ClN8O and a molecular weight of 402.89 g/mol. Its IUPAC name is N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119822395
Molecular FormulaC18H23ClN8O
Molecular Weight402.89 g/mol
Exact Mass402.17
IUPAC NameN-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)c1cn(-c2ccccc2)nn1.Cl
InChIInChI=1S/C18H22N8O.ClH/c1-13(16-11-25(23-21-16)14-5-3-2-4-6-14)20-18(27)17-12-26(24-22-17)15-7-9-19-10-8-15;/h2-6,11-13,15,19H,7-10H2,1H3,(H,20,27);1H
InChIKeyVQDSUNNZOFRWRP-UHFFFAOYSA-N
XLogP1.70
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(1-phenyltriazol-4-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119345694
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
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
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
1-piperidin-4-yl-N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]triazole-4-carboxamide
CID 119900394
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119889989
N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804407

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119822395) is N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(NC(=O)c1cn(C2CCNCC2)nn1)c1cn(-c2ccccc2)nn1.Cl.
What is the InChIKey of N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is VQDSUNNZOFRWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O.ClH/c1-13(16-11-25(23-21-16)14-5-3-2-4-6-14)20-18(27)17-12-26(24-22-17)15-7-9-19-10-8-15;/h2-6,11-13,15,19H,7-10H2,1H3,(H,20,27);1H.
What are the key properties of N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 402.89 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119822395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).