2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C19H22F3N5O — CID 126795931

IUPAC2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCC(c2nncn2C2CC2)C1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)15-5-1-2-6-16(15)24-17(28)11-26-9-3-4-13(10-26)18-25-23-12-27(18)14-7-8-14/h1-2,5-6,12-14H,3-4,7-11H2,(H,24,28)
InChIKeyKTTJWNNFFQZRNC-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.45
Rot. Bonds5

About 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 126795931) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID126795931
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCC(c2nncn2C2CC2)C1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)15-5-1-2-6-16(15)24-17(28)11-26-9-3-4-13(10-26)18-25-23-12-27(18)14-7-8-14/h1-2,5-6,12-14H,3-4,7-11H2,(H,24,28)
InChIKeyKTTJWNNFFQZRNC-UHFFFAOYSA-N
XLogP3.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoropyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171327625
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
CID 71922454
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
3-[[2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 126772136
oxalic acid;2-(4-piperidin-1-ylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 171668861
2-[4-(1-methyl-5-oxo-4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 90542842
2-(2-phenylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18137719
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110860768
2-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 136538286
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 51340058

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 126795931) is 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCCC(c2nncn2C2CC2)C1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KTTJWNNFFQZRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c20-19(21,22)15-5-1-2-6-16(15)24-17(28)11-26-9-3-4-13(10-26)18-25-23-12-27(18)14-7-8-14/h1-2,5-6,12-14H,3-4,7-11H2,(H,24,28).
What are the key properties of 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126795931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).