1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C14H17F3N2O2 — CID 9204923

IUPAC1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@H]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-10-3-2-6-18(7-10)13(21)9-19-8-11(14(15,16)17)4-5-12(19)20/h4-5,8,10H,2-3,6-7,9H2,1H3/t10-/m0/s1
InChIKeyUBIRAPVDPUHFBR-JTQLQIEISA-N
MW302.30 g/mol
LogP2.13
Rot. Bonds2

About 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 9204923) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID9204923
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@H]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1
InChIInChI=1S/C14H17F3N2O2/c1-10-3-2-6-18(7-10)13(21)9-19-8-11(14(15,16)17)4-5-12(19)20/h4-5,8,10H,2-3,6-7,9H2,1H3/t10-/m0/s1
InChIKeyUBIRAPVDPUHFBR-JTQLQIEISA-N
XLogP2.13
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 9204923) is 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is C[C@H]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1.
What is the InChIKey of 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is UBIRAPVDPUHFBR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10-3-2-6-18(7-10)13(21)9-19-8-11(14(15,16)17)4-5-12(19)20/h4-5,8,10H,2-3,6-7,9H2,1H3/t10-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 302.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 9204923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).