6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one

C17H24F2N4O2 — CID 171992922

IUPAC6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)cc1=O
InChIInChI=1S/C17H24F2N4O2/c1-21-12-20-14(11-15(21)24)22-6-2-13(3-7-22)10-16(25)23-8-4-17(18,19)5-9-23/h11-13H,2-10H2,1H3
InChIKeyPHQJJZLFKUEVIS-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.64
Rot. Bonds3

About 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one

6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one (PubChem CID 171992922) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one
PubChem CID171992922
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one
SMILESCn1cnc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)cc1=O
InChIInChI=1S/C17H24F2N4O2/c1-21-12-20-14(11-15(21)24)22-6-2-13(3-7-22)10-16(25)23-8-4-17(18,19)5-9-23/h11-13H,2-10H2,1H3
InChIKeyPHQJJZLFKUEVIS-UHFFFAOYSA-N
XLogP1.64
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one?
The IUPAC name of 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one (CID 171992922) is 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one is Cn1cnc(N2CCC(CC(=O)N3CCC(F)(F)CC3)CC2)cc1=O.
What is the InChIKey of 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one?
The InChIKey is PHQJJZLFKUEVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c1-21-12-20-14(11-15(21)24)22-6-2-13(3-7-22)10-16(25)23-8-4-17(18,19)5-9-23/h11-13H,2-10H2,1H3.
What are the key properties of 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one?
6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one has a molecular weight of 354.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methylpyrimidin-4-one is sourced from PubChem (CID 171992922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).