N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H28ClN5O — CID 119782766

IUPACN-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1C(NC(=O)c1cn(C2CCNCC2)nn1)C(C)C.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-13(2)18(16-7-5-4-6-14(16)3)21-19(25)17-12-24(23-22-17)15-8-10-20-11-9-15;/h4-7,12-13,15,18,20H,8-11H2,1-3H3,(H,21,25);1H
InChIKeyDQSXFQXGBHLMBH-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.06
Rot. Bonds5

About N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119782766) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119782766
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC NameN-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1C(NC(=O)c1cn(C2CCNCC2)nn1)C(C)C.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-13(2)18(16-7-5-4-6-14(16)3)21-19(25)17-12-24(23-22-17)15-8-10-20-11-9-15;/h4-7,12-13,15,18,20H,8-11H2,1-3H3,(H,21,25);1H
InChIKeyDQSXFQXGBHLMBH-UHFFFAOYSA-N
XLogP3.06
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-chlorophenyl)-2-methylpropyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119789668
N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119782809
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-(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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 79250057
N-(1-hydroxypropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282853
N-[1-(2-methoxyphenyl)-3-methylbutan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119813101
N-[2-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119871699
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119770249
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119782766) is N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccccc1C(NC(=O)c1cn(C2CCNCC2)nn1)C(C)C.Cl.
What is the InChIKey of N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is DQSXFQXGBHLMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-13(2)18(16-7-5-4-6-14(16)3)21-19(25)17-12-24(23-22-17)15-8-10-20-11-9-15;/h4-7,12-13,15,18,20H,8-11H2,1-3H3,(H,21,25);1H.
What are the key properties of N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119782766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).