5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one

C11H13F3N2O — CID 164734760

IUPAC5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(C2CCCNC2)c[nH]1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-4-10(17)16-6-8(9)7-2-1-3-15-5-7/h4,6-7,15H,1-3,5H2,(H,16,17)
InChIKeyMIQIRNHNFAXHIO-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.86
Rot. Bonds1

About 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one

5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 164734760) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID164734760
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(C2CCCNC2)c[nH]1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-4-10(17)16-6-8(9)7-2-1-3-15-5-7/h4,6-7,15H,1-3,5H2,(H,16,17)
InChIKeyMIQIRNHNFAXHIO-UHFFFAOYSA-N
XLogP1.86
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 164734760) is 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(C2CCCNC2)c[nH]1.
What is the InChIKey of 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MIQIRNHNFAXHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-4-10(17)16-6-8(9)7-2-1-3-15-5-7/h4,6-7,15H,1-3,5H2,(H,16,17).
What are the key properties of 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one?
5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 246.23 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-3-yl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 164734760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).