6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one

C17H24F2N4O2 — CID 126944087

IUPAC6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCN1CCN1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C17H24F2N4O2/c18-17(19)14-10-16(25)23(12-20-14)11-13-3-6-21(7-4-13)8-9-22-5-1-2-15(22)24/h10,12-13,17H,1-9,11H2
InChIKeyDRHILDIIKHCYRJ-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.52
Rot. Bonds6

About 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944087) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944087
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCN1CCN1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C17H24F2N4O2/c18-17(19)14-10-16(25)23(12-20-14)11-13-3-6-21(7-4-13)8-9-22-5-1-2-15(22)24/h10,12-13,17H,1-9,11H2
InChIKeyDRHILDIIKHCYRJ-UHFFFAOYSA-N
XLogP1.52
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

3-(2-{4-[4-(Fluoromethyl)-2-oxopyrrolidin-1-yl]piperidin-1-yl}ethyl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 126899825
5,6-Dimethyl-3-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941372
6-Cyclopropyl-3-({1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126941842
3-({1-[2-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}methyl)-6-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 126942318
3-[(1-Cyclopropanecarbonylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943354
3-[(1-Cyclopentanecarbonylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943355
3-[(1-Cyclobutanecarbonylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943370
3-{[1-(1-Methyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943416
3-{[1-(Cyclopent-3-ene-1-carbonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943422
3-{[1-(Pyrrolidine-1-sulfonyl)piperidin-4-yl]methyl}-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943448
3-[(1-Cyclopentylpiperidin-4-yl)methyl]-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943477
3-({1-[2-(Piperidin-1-yl)ethyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943482

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944087) is 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=C1CCCN1CCN1CCC(Cn2cnc(C(F)F)cc2=O)CC1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is DRHILDIIKHCYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c18-17(19)14-10-16(25)23(12-20-14)11-13-3-6-21(7-4-13)8-9-22-5-1-2-15(22)24/h10,12-13,17H,1-9,11H2.
What are the key properties of 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 354.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).