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

C17H23F2N3O2 — CID 126943797

IUPAC3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
SMILESO=C(C1CCCC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C17H23F2N3O2/c18-16(19)14-9-15(23)22(11-20-14)10-12-5-7-21(8-6-12)17(24)13-3-1-2-4-13/h9,11-13,16H,1-8,10H2
InChIKeyWEZWHOCXFCGLEW-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.61
Rot. Bonds4

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

3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one (PubChem CID 126943797) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
PubChem CID126943797
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
SMILESO=C(C1CCCC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C17H23F2N3O2/c18-16(19)14-9-15(23)22(11-20-14)10-12-5-7-21(8-6-12)17(24)13-3-1-2-4-13/h9,11-13,16H,1-8,10H2
InChIKeyWEZWHOCXFCGLEW-UHFFFAOYSA-N
XLogP2.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one (CID 126943797) is 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one is O=C(C1CCCC1)N1CCC(Cn2cnc(C(F)F)cc2=O)CC1.
What is the InChIKey of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
The InChIKey is WEZWHOCXFCGLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c18-16(19)14-9-15(23)22(11-20-14)10-12-5-7-21(8-6-12)17(24)13-3-1-2-4-13/h9,11-13,16H,1-8,10H2.
What are the key properties of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one?
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one has a molecular weight of 339.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126943797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).