N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide

C11H16F3N5O — CID 63283083

IUPACN-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H16F3N5O/c1-18(7-11(12,13)14)10(20)9-6-19(17-16-9)8-2-4-15-5-3-8/h6,8,15H,2-5,7H2,1H3
InChIKeyLOUFOVOHVVOZRJ-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.84
Rot. Bonds3

About N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide

N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (PubChem CID 63283083) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
PubChem CID63283083
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C11H16F3N5O/c1-18(7-11(12,13)14)10(20)9-6-19(17-16-9)8-2-4-15-5-3-8/h6,8,15H,2-5,7H2,1H3
InChIKeyLOUFOVOHVVOZRJ-UHFFFAOYSA-N
XLogP0.84
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-1-[(1-cyclohexyltriazole-4-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155512795
Tert-butyl 4-(4-carbamoyltriazol-1-yl)piperidine-1-carboxylate
CID 44583674
1-(2,2-difluorocyclopropyl)-N-[1-(propan-2-yl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
CID 132220021
1-cyclopropyl-N-[1-(propan-2-yl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
CID 132219939
N-[((2S,4S)-1-{[1-(2-aminoethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-4-fluoro-2-pyrrolidinyl)methyl]-3-methylbutanamide hydrochloride
CID 70739411
[1-(azetidin-3-yl)-1H-1,2,3-triazol-4-yl](pyrrolidin-1-yl)methanone--hydrogen chloride (1/1)
CID 79316104
N-(Cyclopropylmethyl)-1-(1-propanoylazetidin-3-YL)-1H-1,2,3-triazole-4-carboxamide
CID 91923606
(1-Heptyltriazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 137634754
N-[2-(diaminomethylideneamino)ethyl]-1-heptyltriazole-4-carboxamide;hydrochloride
CID 137637075
(1-Heptyltriazol-4-yl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 137647819
N-(2-aminoethyl)-1-heptyltriazole-4-carboxamide;hydrochloride
CID 137658082
1-cyclopropyl-N-(3-(dimethylamino)propyl)-1H-1,2,3-triazole-4-carboxamide
CID 132210955

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The IUPAC name of N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide (CID 63283083) is N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is CN(CC(F)(F)F)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
The InChIKey is LOUFOVOHVVOZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-18(7-11(12,13)14)10(20)9-6-19(17-16-9)8-2-4-15-5-3-8/h6,8,15H,2-5,7H2,1H3.
What are the key properties of N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide?
N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide has a molecular weight of 291.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)triazole-4-carboxamide is sourced from PubChem (CID 63283083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).