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

C18H26F2N4O2 — CID 126943835

IUPAC6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCCC(C(=O)N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)C1
InChIInChI=1S/C18H26F2N4O2/c1-22-6-2-3-14(11-22)18(26)23-7-4-13(5-8-23)10-24-12-21-15(17(19)20)9-16(24)25/h9,12-14,17H,2-8,10-11H2,1H3
InChIKeyOCEGFAWEYULYOM-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.76
Rot. Bonds4

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

6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126943835) has the molecular formula C18H26F2N4O2 and a molecular weight of 368.43 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126943835
Molecular FormulaC18H26F2N4O2
Molecular Weight368.43 g/mol
Exact Mass368.20
IUPAC Name6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCN1CCCC(C(=O)N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)C1
InChIInChI=1S/C18H26F2N4O2/c1-22-6-2-3-14(11-22)18(26)23-7-4-13(5-8-23)10-24-12-21-15(17(19)20)9-16(24)25/h9,12-14,17H,2-8,10-11H2,1H3
InChIKeyOCEGFAWEYULYOM-UHFFFAOYSA-N
XLogP1.76
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944098
6-(difluoromethyl)-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943916
3-[(1-cyclohexylpiperidin-4-yl)methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126943917
6-(difluoromethyl)-3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943817
6-(difluoromethyl)-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943865
3-[[1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944124
6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944047
3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943354
6-(difluoromethyl)-3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943804
3-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944006
6-(difluoromethyl)-3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943978
6-(difluoromethyl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943949

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126943835) is 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is CN1CCCC(C(=O)N2CCC(Cn3cnc(C(F)F)cc3=O)CC2)C1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is OCEGFAWEYULYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O2/c1-22-6-2-3-14(11-22)18(26)23-7-4-13(5-8-23)10-24-12-21-15(17(19)20)9-16(24)25/h9,12-14,17H,2-8,10-11H2,1H3.
What are the key properties of 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 368.43 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-(1-methylpiperidine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126943835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).