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N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H20F2N6O2 — CID 119771991

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H20F2N6O2/c1-24(10-16(26)21-13-7-11(18)6-12(19)8-13)17(27)15-9-25(23-22-15)14-2-4-20-5-3-14/h6-9,14,20H,2-5,10H2,1H3,(H,21,26)
InChIKeyOZSPAMSWTSAUJO-UHFFFAOYSA-N
MW378.38 g/mol
LogP1.19
Rot. Bonds5

About N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119771991) has the molecular formula C17H20F2N6O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119771991
Molecular FormulaC17H20F2N6O2
Molecular Weight378.38 g/mol
Exact Mass378.16
IUPAC NameN-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C17H20F2N6O2/c1-24(10-16(26)21-13-7-11(18)6-12(19)8-13)17(27)15-9-25(23-22-15)14-2-4-20-5-3-14/h6-9,14,20H,2-5,10H2,1H3,(H,21,26)
InChIKeyOZSPAMSWTSAUJO-UHFFFAOYSA-N
XLogP1.19
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119771991) is N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide is CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is OZSPAMSWTSAUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N6O2/c1-24(10-16(26)21-13-7-11(18)6-12(19)8-13)17(27)15-9-25(23-22-15)14-2-4-20-5-3-14/h6-9,14,20H,2-5,10H2,1H3,(H,21,26).
What are the key properties of N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluoroanilino)-2-oxoethyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119771991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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