2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

C11H16F3N5O — CID 131914577

IUPAC2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(c2ncnn2CC(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)6-19-10(16-7-17-19)8-2-1-3-18(4-8)5-9(15)20/h7-8H,1-6H2,(H2,15,20)
InChIKeySJPKUCDFPWVRCF-UHFFFAOYSA-N
MW291.28 g/mol
LogP0.51
Rot. Bonds4

About 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 131914577) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID131914577
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC(c2ncnn2CC(F)(F)F)C1
InChIInChI=1S/C11H16F3N5O/c12-11(13,14)6-19-10(16-7-17-19)8-2-1-3-18(4-8)5-9(15)20/h7-8H,1-6H2,(H2,15,20)
InChIKeySJPKUCDFPWVRCF-UHFFFAOYSA-N
XLogP0.51
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 72114194
2-[4-(4-Methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide
CID 71933044
(3S)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-2-one
CID 164641363
6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 132182489
1-[[3-(Trifluoromethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide
CID 142742590
1-[(4,4-Difluorocyclohexyl)methyl]-1,2,4-triazole-3-carboxamide
CID 157566266
1-[(3,3-Difluorocyclobutyl)methyl]-1,2,4-triazole-3-carboxamide
CID 159487913
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3,3-difluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397026
5-[(4,4-Difluorocyclohexyl)methyl]-2-ethyl-1,2,4-triazole-3-carboxamide
CID 175397162
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2-fluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397192
5-[(4,4-Difluorocyclohexyl)methyl]-2-(2,2-difluoroethyl)-1,2,4-triazole-3-carboxamide
CID 175397373
5-[(4,4-Difluorocyclohexyl)methyl]-2-(3-fluoropropyl)-1,2,4-triazole-3-carboxamide
CID 175397414

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 131914577) is 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is NC(=O)CN1CCCC(c2ncnn2CC(F)(F)F)C1.
What is the InChIKey of 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is SJPKUCDFPWVRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c12-11(13,14)6-19-10(16-7-17-19)8-2-1-3-18(4-8)5-9(15)20/h7-8H,1-6H2,(H2,15,20).
What are the key properties of 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 291.28 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 131914577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).