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

C13H17F3N4O — CID 64857209

IUPAC1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
SMILESCN1CC(n2c(C(F)(F)F)nc3c2CCNC3)CCC1=O
InChIInChI=1S/C13H17F3N4O/c1-19-7-8(2-3-11(19)21)20-10-4-5-17-6-9(10)18-12(20)13(14,15)16/h8,17H,2-7H2,1H3
InChIKeyPWCDKSXQEAYFSJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.34
Rot. Bonds1

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

1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one (PubChem CID 64857209) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
PubChem CID64857209
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one
SMILESCN1CC(n2c(C(F)(F)F)nc3c2CCNC3)CCC1=O
InChIInChI=1S/C13H17F3N4O/c1-19-7-8(2-3-11(19)21)20-10-4-5-17-6-9(10)18-12(20)13(14,15)16/h8,17H,2-7H2,1H3
InChIKeyPWCDKSXQEAYFSJ-UHFFFAOYSA-N
XLogP1.34
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
The IUPAC name of 1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one (CID 64857209) is 1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one is CN1CC(n2c(C(F)(F)F)nc3c2CCNC3)CCC1=O.
What is the InChIKey of 1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
The InChIKey is PWCDKSXQEAYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-19-7-8(2-3-11(19)21)20-10-4-5-17-6-9(10)18-12(20)13(14,15)16/h8,17H,2-7H2,1H3.
What are the key properties of 1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one?
1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one has a molecular weight of 302.30 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[2-(trifluoromethyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl]piperidin-2-one is sourced from PubChem (CID 64857209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).