N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H25F3N6O — CID 120643080

IUPACN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H25F3N6O/c1-24-15(21-13(23-24)11-4-6-20-7-5-11)22-14(26)12-3-2-8-25(9-12)10-16(17,18)19/h11-12,20H,2-10H2,1H3,(H,21,22,23,26)
InChIKeyHEMYYZJSGLXNKS-UHFFFAOYSA-N
MW374.41 g/mol
LogP1.49
Rot. Bonds4

About N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 120643080) has the molecular formula C16H25F3N6O and a molecular weight of 374.41 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID120643080
Molecular FormulaC16H25F3N6O
Molecular Weight374.41 g/mol
Exact Mass374.20
IUPAC NameN-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C16H25F3N6O/c1-24-15(21-13(23-24)11-4-6-20-7-5-11)22-14(26)12-3-2-8-25(9-12)10-16(17,18)19/h11-12,20H,2-10H2,1H3,(H,21,22,23,26)
InChIKeyHEMYYZJSGLXNKS-UHFFFAOYSA-N
XLogP1.49
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

Piperidin-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192619
(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
3-methyl-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 141332170
piperidin-3-yl-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 64576945
[(3S)-piperidin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 81133707
[(3R)-piperidin-3-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 81133708
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120641916
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120641917
4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120643053
4,4-difluoro-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexane-1-carboxamide
CID 120643054
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide;hydrochloride
CID 120643079
2,2,2-trifluoro-N-(1-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)acetamide
CID 131125767

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 120643080) is N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cn1nc(C2CCNCC2)nc1NC(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is HEMYYZJSGLXNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N6O/c1-24-15(21-13(23-24)11-4-6-20-7-5-11)22-14(26)12-3-2-8-25(9-12)10-16(17,18)19/h11-12,20H,2-10H2,1H3,(H,21,22,23,26).
What are the key properties of N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 120643080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).