1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

C14H17F3N2O3 — CID 110886766

IUPAC1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCC(CO)C1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)11-4-2-6-19(13(11)22)8-12(21)18-5-1-3-10(7-18)9-20/h2,4,6,10,20H,1,3,5,7-9H2
InChIKeyOQIQWBBPZCQNPI-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.10
Rot. Bonds3

About 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 110886766) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID110886766
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCC(CO)C1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)11-4-2-6-19(13(11)22)8-12(21)18-5-1-3-10(7-18)9-20/h2,4,6,10,20H,1,3,5,7-9H2
InChIKeyOQIQWBBPZCQNPI-UHFFFAOYSA-N
XLogP1.10
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one (CID 110886766) is 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCC(CO)C1.
What is the InChIKey of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is OQIQWBBPZCQNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)11-4-2-6-19(13(11)22)8-12(21)18-5-1-3-10(7-18)9-20/h2,4,6,10,20H,1,3,5,7-9H2.
What are the key properties of 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one?
1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 318.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 110886766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).