5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one

C12H15F3N4O — CID 64858131

IUPAC5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
SMILESO=C1CCC(n2c(C(F)(F)F)nc3c2CCNC3)CN1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-18-8-6-16-4-3-9(8)19(11)7-1-2-10(20)17-5-7/h7,16H,1-6H2,(H,17,20)
InChIKeyBISPKPAPXDLCCF-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.00
Rot. Bonds1

About 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one

5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one (PubChem CID 64858131) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
PubChem CID64858131
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
SMILESO=C1CCC(n2c(C(F)(F)F)nc3c2CCNC3)CN1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-18-8-6-16-4-3-9(8)19(11)7-1-2-10(20)17-5-7/h7,16H,1-6H2,(H,17,20)
InChIKeyBISPKPAPXDLCCF-UHFFFAOYSA-N
XLogP1.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
The IUPAC name of 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one (CID 64858131) is 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one.
What is the SMILES notation for 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
The canonical SMILES for 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one is O=C1CCC(n2c(C(F)(F)F)nc3c2CCNC3)CN1.
What is the InChIKey of 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
The InChIKey is BISPKPAPXDLCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)11-18-8-6-16-4-3-9(8)19(11)7-1-2-10(20)17-5-7/h7,16H,1-6H2,(H,17,20).
What are the key properties of 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one has a molecular weight of 288.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one is sourced from PubChem (CID 64858131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).