N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H28ClN5O — CID 119743552

IUPACN-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(C(=O)c1nnn(C2CCNCC2)c1C)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-5-23(17-11-13(2)10-14(3)12-17)19(25)18-15(4)24(22-21-18)16-6-8-20-9-7-16;/h10-12,16,20H,5-9H2,1-4H3;1H
InChIKeyLKTLWQZIEYUEIQ-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.22
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119743552) has the molecular formula C19H28ClN5O and a molecular weight of 377.92 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119743552
Molecular FormulaC19H28ClN5O
Molecular Weight377.92 g/mol
Exact Mass377.20
IUPAC NameN-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(C(=O)c1nnn(C2CCNCC2)c1C)c1cc(C)cc(C)c1.Cl
InChIInChI=1S/C19H27N5O.ClH/c1-5-23(17-11-13(2)10-14(3)12-17)19(25)18-15(4)24(22-21-18)16-6-8-20-9-7-16;/h10-12,16,20H,5-9H2,1-4H3;1H
InChIKeyLKTLWQZIEYUEIQ-UHFFFAOYSA-N
XLogP3.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722097
N-benzyl-5-methyl-N-(4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 166228127
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746736
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
N-ethyl-5-methyl-N-(2-phenylethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119736297
N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119733287
N-ethyl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683395
N-(2-ethoxyethyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119754980
N-cyclopropyl-5-methyl-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide;hydrochloride
CID 119728041
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119799769
5-methyl-N-(2-methylpropyl)-1-piperidin-4-yl-N-propan-2-yltriazole-4-carboxamide
CID 119730921

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119743552) is N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCN(C(=O)c1nnn(C2CCNCC2)c1C)c1cc(C)cc(C)c1.Cl.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is LKTLWQZIEYUEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.ClH/c1-5-23(17-11-13(2)10-14(3)12-17)19(25)18-15(4)24(22-21-18)16-6-8-20-9-7-16;/h10-12,16,20H,5-9H2,1-4H3;1H.
What are the key properties of N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 377.92 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119743552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).