N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide

C15H27N5O2 — CID 119793062

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H27N5O2/c1-15(2,3)8-12(21)9-17-14(22)13-10-20(19-18-13)11-4-6-16-7-5-11/h10-12,16,21H,4-9H2,1-3H3,(H,17,22)
InChIKeyQKLUBZLUQZOOBF-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.73
Rot. Bonds5

About N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119793062) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119793062
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C15H27N5O2/c1-15(2,3)8-12(21)9-17-14(22)13-10-20(19-18-13)11-4-6-16-7-5-11/h10-12,16,21H,4-9H2,1-3H3,(H,17,22)
InChIKeyQKLUBZLUQZOOBF-UHFFFAOYSA-N
XLogP0.73
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
N-(3-hydroxybutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75373004
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N-[2-(4-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119866548
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
N-(2-phenylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804407
N-[2-(4-fluorophenoxy)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119804464
N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119792678

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 119793062) is N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide is CC(C)(C)CC(O)CNC(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is QKLUBZLUQZOOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-15(2,3)8-12(21)9-17-14(22)13-10-20(19-18-13)11-4-6-16-7-5-11/h10-12,16,21H,4-9H2,1-3H3,(H,17,22).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119793062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).