N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C14H26ClN5O — CID 119785981

IUPACN-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(C)(CC)NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-4-14(3,5-2)16-13(20)12-10-19(18-17-12)11-6-8-15-9-7-11;/h10-11,15H,4-9H2,1-3H3,(H,16,20);1H
InChIKeyQEELNNQWRLHXFJ-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.93
Rot. Bonds5

About N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119785981) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119785981
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC NameN-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCC(C)(CC)NC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-4-14(3,5-2)16-13(20)12-10-19(18-17-12)11-6-8-15-9-7-11;/h10-11,15H,4-9H2,1-3H3,(H,16,20);1H
InChIKeyQEELNNQWRLHXFJ-UHFFFAOYSA-N
XLogP1.93
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734251
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
1-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]triazole-4-carboxamide
CID 119892403
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119891994
ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-(2-hydroxy-4,4-dimethylpentyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793062

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119785981) is N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCC(C)(CC)NC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is QEELNNQWRLHXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.ClH/c1-4-14(3,5-2)16-13(20)12-10-19(18-17-12)11-6-8-15-9-7-11;/h10-11,15H,4-9H2,1-3H3,(H,16,20);1H.
What are the key properties of N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119785981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).