2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C17H17F3N6O — CID 24604258

IUPAC2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1ncn(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)12-4-5-14(25-6-2-1-3-7-25)13(8-12)23-16(27)10-26-11-22-15(9-21)24-26/h4-5,8,11H,1-3,6-7,10H2,(H,23,27)
InChIKeyKRUZWVHJYYERID-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.80
Rot. Bonds4

About 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 24604258) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID24604258
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1ncn(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)12-4-5-14(25-6-2-1-3-7-25)13(8-12)23-16(27)10-26-11-22-15(9-21)24-26/h4-5,8,11H,1-3,6-7,10H2,(H,23,27)
InChIKeyKRUZWVHJYYERID-UHFFFAOYSA-N
XLogP2.80
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470932
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
2-(4-formylphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 78812801
2-(1-methyltetrazol-5-yl)sulfanyl-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 9231136
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 146131067
2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653
2-(3-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55380507
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 24604258) is 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is N#Cc1ncn(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)n1.
What is the InChIKey of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KRUZWVHJYYERID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)12-4-5-14(25-6-2-1-3-7-25)13(8-12)23-16(27)10-26-11-22-15(9-21)24-26/h4-5,8,11H,1-3,6-7,10H2,(H,23,27).
What are the key properties of 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 378.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-1,2,4-triazol-1-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24604258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).