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

C16H22F2N4O2 — CID 126944094

IUPAC6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1NCCCC1N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C16H22F2N4O2/c17-15(18)12-8-14(23)22(10-20-12)9-11-3-6-21(7-4-11)13-2-1-5-19-16(13)24/h8,10-11,13,15H,1-7,9H2,(H,19,24)
InChIKeyMEZTVLNQLFEDKN-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.17
Rot. Bonds4

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

6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944094) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944094
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1NCCCC1N1CCC(Cn2cnc(C(F)F)cc2=O)CC1
InChIInChI=1S/C16H22F2N4O2/c17-15(18)12-8-14(23)22(10-20-12)9-11-3-6-21(7-4-11)13-2-1-5-19-16(13)24/h8,10-11,13,15H,1-7,9H2,(H,19,24)
InChIKeyMEZTVLNQLFEDKN-UHFFFAOYSA-N
XLogP1.17
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944094) is 6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is O=C1NCCCC1N1CCC(Cn2cnc(C(F)F)cc2=O)CC1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is MEZTVLNQLFEDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c17-15(18)12-8-14(23)22(10-20-12)9-11-3-6-21(7-4-11)13-2-1-5-19-16(13)24/h8,10-11,13,15H,1-7,9H2,(H,19,24).
What are the key properties of 6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 340.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-(2-oxopiperidin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).