N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

C18H22F3N5O — CID 119737494

IUPACN,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)nnn1C1CCNCC1
InChIInChI=1S/C18H22F3N5O/c1-12-16(23-24-26(12)15-6-8-22-9-7-15)17(27)25(2)11-13-4-3-5-14(10-13)18(19,20)21/h3-5,10,15,22H,6-9,11H2,1-2H3
InChIKeyOGPVJTGKEWTYDQ-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.80
Rot. Bonds4

About N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 119737494) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID119737494
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC NameN,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)nnn1C1CCNCC1
InChIInChI=1S/C18H22F3N5O/c1-12-16(23-24-26(12)15-6-8-22-9-7-15)17(27)25(2)11-13-4-3-5-14(10-13)18(19,20)21/h3-5,10,15,22H,6-9,11H2,1-2H3
InChIKeyOGPVJTGKEWTYDQ-UHFFFAOYSA-N
XLogP2.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119681572
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766858
N,5-dimethyl-1-piperidin-4-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]triazole-4-carboxamide;hydrochloride
CID 119812988
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119799769
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681231
5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119756975
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,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119836424
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
N-benzyl-N-butan-2-yl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688822
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (CID 119737494) is N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2cccc(C(F)(F)F)c2)nnn1C1CCNCC1.
What is the InChIKey of N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is OGPVJTGKEWTYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-12-16(23-24-26(12)15-6-8-22-9-7-15)17(27)25(2)11-13-4-3-5-14(10-13)18(19,20)21/h3-5,10,15,22H,6-9,11H2,1-2H3.
What are the key properties of N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 381.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 119737494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).