6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one

C15H16F6N2O — CID 175630064

IUPAC6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one
SMILESCNC1CC(c2c(F)ccc(F)c2F)C(C)N(CC(F)(F)F)C1=O
InChIInChI=1S/C15H16F6N2O/c1-7-8(12-9(16)3-4-10(17)13(12)18)5-11(22-2)14(24)23(7)6-15(19,20)21/h3-4,7-8,11,22H,5-6H2,1-2H3
InChIKeyINRPDRJIHKYKGH-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.96
Rot. Bonds3

About 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one

6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one (PubChem CID 175630064) has the molecular formula C15H16F6N2O and a molecular weight of 354.29 g/mol. Its IUPAC name is 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one
PubChem CID175630064
Molecular FormulaC15H16F6N2O
Molecular Weight354.29 g/mol
Exact Mass354.12
IUPAC Name6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one
SMILESCNC1CC(c2c(F)ccc(F)c2F)C(C)N(CC(F)(F)F)C1=O
InChIInChI=1S/C15H16F6N2O/c1-7-8(12-9(16)3-4-10(17)13(12)18)5-11(22-2)14(24)23(7)6-15(19,20)21/h3-4,7-8,11,22H,5-6H2,1-2H3
InChIKeyINRPDRJIHKYKGH-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one?
The IUPAC name of 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one (CID 175630064) is 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one.
What is the SMILES notation for 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one?
The canonical SMILES for 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one is CNC1CC(c2c(F)ccc(F)c2F)C(C)N(CC(F)(F)F)C1=O.
What is the InChIKey of 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one?
The InChIKey is INRPDRJIHKYKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O/c1-7-8(12-9(16)3-4-10(17)13(12)18)5-11(22-2)14(24)23(7)6-15(19,20)21/h3-4,7-8,11,22H,5-6H2,1-2H3.
What are the key properties of 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one?
6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one has a molecular weight of 354.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylamino)-1-(2,2,2-trifluoroethyl)-5-(2,3,6-trifluorophenyl)piperidin-2-one is sourced from PubChem (CID 175630064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).