3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one

C15H19F2N3O2 — CID 126943796

IUPAC3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
SMILESO=C(C1CC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C15H19F2N3O2/c16-14(17)12-7-13(21)20(9-18-12)8-10-3-5-19(6-4-10)15(22)11-1-2-11/h7,9-11,14H,1-6,8H2
InChIKeyIETATZVJHJGTFL-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.83
Rot. Bonds4

About 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one

3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one (PubChem CID 126943796) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
PubChem CID126943796
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
SMILESO=C(C1CC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C15H19F2N3O2/c16-14(17)12-7-13(21)20(9-18-12)8-10-3-5-19(6-4-10)15(22)11-1-2-11/h7,9-11,14H,1-6,8H2
InChIKeyIETATZVJHJGTFL-UHFFFAOYSA-N
XLogP1.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-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-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one (CID 126943796) is 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one is O=C(C1CC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
The InChIKey is IETATZVJHJGTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c16-14(17)12-7-13(21)20(9-18-12)8-10-3-5-19(6-4-10)15(22)11-1-2-11/h7,9-11,14H,1-6,8H2.
What are the key properties of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one has a molecular weight of 311.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).