N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C17H24ClN5O — CID 119709312

IUPACN-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1ccccc1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-17(2,13-6-4-3-5-7-13)19-16(23)15-12-22(21-20-15)14-8-10-18-11-9-14;/h3-7,12,14,18H,8-11H2,1-2H3,(H,19,23);1H
InChIKeyNXPDOJKGXPFNNT-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.29
Rot. Bonds4

About N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119709312) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119709312
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC NameN-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1ccccc1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-17(2,13-6-4-3-5-7-13)19-16(23)15-12-22(21-20-15)14-8-10-18-11-9-14;/h3-7,12,14,18H,8-11H2,1-2H3,(H,19,23);1H
InChIKeyNXPDOJKGXPFNNT-UHFFFAOYSA-N
XLogP2.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-bromophenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119734251
N-[2-(3-methylphenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119795627
N-(3-methylpentan-3-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119785981
N-[2-(tert-butylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119707297
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119774767
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119748169
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
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119705877
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119771408

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119709312) is N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(C)(NC(=O)c1cn(C2CCNCC2)nn1)c1ccccc1.Cl.
What is the InChIKey of N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is NXPDOJKGXPFNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-17(2,13-6-4-3-5-7-13)19-16(23)15-12-22(21-20-15)14-8-10-18-11-9-14;/h3-7,12,14,18H,8-11H2,1-2H3,(H,19,23);1H.
What are the key properties of N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119709312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).