3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one

C12H15F3N4O — CID 64858315

IUPAC3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
SMILESO=C1NCCCC1n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-18-7-6-16-5-3-8(7)19(11)9-2-1-4-17-10(9)20/h9,16H,1-6H2,(H,17,20)
InChIKeyVADHIRCGUUEKPZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.00
Rot. Bonds1

About 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one

3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one (PubChem CID 64858315) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
PubChem CID64858315
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
SMILESO=C1NCCCC1n1c(C(F)(F)F)nc2c1CCNC2
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)11-18-7-6-16-5-3-8(7)19(11)9-2-1-4-17-10(9)20/h9,16H,1-6H2,(H,17,20)
InChIKeyVADHIRCGUUEKPZ-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

Analyze 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
The IUPAC name of 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one (CID 64858315) is 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
The canonical SMILES for 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one is O=C1NCCCC1n1c(C(F)(F)F)nc2c1CCNC2.
What is the InChIKey of 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
The InChIKey is VADHIRCGUUEKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)11-18-7-6-16-5-3-8(7)19(11)9-2-1-4-17-10(9)20/h9,16H,1-6H2,(H,17,20).
What are the key properties of 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
3-[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 3-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one is sourced from PubChem (CID 64858315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).