3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

C19H26F3N3O2 — CID 126943434

IUPAC3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCC1CCC(C(=O)N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-13-2-4-15(5-3-13)18(27)24-8-6-14(7-9-24)11-25-12-23-16(10-17(25)26)19(20,21)22/h10,12-15H,2-9,11H2,1H3
InChIKeyQDFYHANWPFBFHZ-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.33
Rot. Bonds3

About 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one

3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126943434) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126943434
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
SMILESCC1CCC(C(=O)N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)CC1
InChIInChI=1S/C19H26F3N3O2/c1-13-2-4-15(5-3-13)18(27)24-8-6-14(7-9-24)11-25-12-23-16(10-17(25)26)19(20,21)22/h10,12-15H,2-9,11H2,1H3
InChIKeyQDFYHANWPFBFHZ-UHFFFAOYSA-N
XLogP3.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one (CID 126943434) is 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is CC1CCC(C(=O)N2CCC(Cn3cnc(C(F)(F)F)cc3=O)CC2)CC1.
What is the InChIKey of 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is QDFYHANWPFBFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-13-2-4-15(5-3-13)18(27)24-8-6-14(7-9-24)11-25-12-23-16(10-17(25)26)19(20,21)22/h10,12-15H,2-9,11H2,1H3.
What are the key properties of 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one?
3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 385.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methylcyclohexanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).