2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one

C17H25F2N3O — CID 169148682

IUPAC2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C2CCCN(C3CCC(F)(F)CC3)C2)[nH]c1=O
InChIInChI=1S/C17H25F2N3O/c1-2-12-10-20-15(21-16(12)23)13-4-3-9-22(11-13)14-5-7-17(18,19)8-6-14/h10,13-14H,2-9,11H2,1H3,(H,20,21,23)
InChIKeyGSZXVYBRZXLVMI-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.09
Rot. Bonds3

About 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one

2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one (PubChem CID 169148682) has the molecular formula C17H25F2N3O and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one
PubChem CID169148682
Molecular FormulaC17H25F2N3O
Molecular Weight325.40 g/mol
Exact Mass325.20
IUPAC Name2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1cnc(C2CCCN(C3CCC(F)(F)CC3)C2)[nH]c1=O
InChIInChI=1S/C17H25F2N3O/c1-2-12-10-20-15(21-16(12)23)13-4-3-9-22(11-13)14-5-7-17(18,19)8-6-14/h10,13-14H,2-9,11H2,1H3,(H,20,21,23)
InChIKeyGSZXVYBRZXLVMI-UHFFFAOYSA-N
XLogP3.09
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-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 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one (CID 169148682) is 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one is CCc1cnc(C2CCCN(C3CCC(F)(F)CC3)C2)[nH]c1=O.
What is the InChIKey of 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is GSZXVYBRZXLVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2N3O/c1-2-12-10-20-15(21-16(12)23)13-4-3-9-22(11-13)14-5-7-17(18,19)8-6-14/h10,13-14H,2-9,11H2,1H3,(H,20,21,23).
What are the key properties of 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one?
2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 325.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-difluorocyclohexyl)piperidin-3-yl]-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 169148682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).