1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one

C15H21F3N2O — CID 138387811

IUPAC1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one
SMILESCC(CC(F)(F)F)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C15H21F3N2O/c1-11(10-15(16,17)18)20-7-4-12(5-8-20)13-3-6-19(2)14(21)9-13/h3,6,9,11-12H,4-5,7-8,10H2,1-2H3
InChIKeyFVORTGREAMCTME-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.91
Rot. Bonds3

About 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one

1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one (PubChem CID 138387811) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one
PubChem CID138387811
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one
SMILESCC(CC(F)(F)F)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C15H21F3N2O/c1-11(10-15(16,17)18)20-7-4-12(5-8-20)13-3-6-19(2)14(21)9-13/h3,6,9,11-12H,4-5,7-8,10H2,1-2H3
InChIKeyFVORTGREAMCTME-UHFFFAOYSA-N
XLogP2.91
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one (CID 138387811) is 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one is CC(CC(F)(F)F)N1CCC(c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one?
The InChIKey is FVORTGREAMCTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(10-15(16,17)18)20-7-4-12(5-8-20)13-3-6-19(2)14(21)9-13/h3,6,9,11-12H,4-5,7-8,10H2,1-2H3.
What are the key properties of 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one?
1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one has a molecular weight of 302.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 138387811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).