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

C23H28ClN5O — CID 119716613

IUPACN-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H27N5O.ClH/c1-17(22(18-8-4-2-5-9-18)19-10-6-3-7-11-19)25-23(29)21-16-28(27-26-21)20-12-14-24-15-13-20;/h2-11,16-17,20,22,24H,12-15H2,1H3,(H,25,29);1H
InChIKeyHORCWWITAVTPDE-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.57
Rot. Bonds6

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

N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119716613) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119716613
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC NameN-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cn(C2CCNCC2)nn1)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C23H27N5O.ClH/c1-17(22(18-8-4-2-5-9-18)19-10-6-3-7-11-19)25-23(29)21-16-28(27-26-21)20-12-14-24-15-13-20;/h2-11,16-17,20,22,24H,12-15H2,1H3,(H,25,29);1H
InChIKeyHORCWWITAVTPDE-UHFFFAOYSA-N
XLogP3.57
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119794039
N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119789668
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
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-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119716613) is N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CC(NC(=O)c1cn(C2CCNCC2)nn1)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is HORCWWITAVTPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.ClH/c1-17(22(18-8-4-2-5-9-18)19-10-6-3-7-11-19)25-23(29)21-16-28(27-26-21)20-12-14-24-15-13-20;/h2-11,16-17,20,22,24H,12-15H2,1H3,(H,25,29);1H.
What are the key properties of N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119716613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).