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

C17H24F2N4O2 — CID 126943991

IUPAC6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCC(CN2CCC(Cn3cnc(C(F)F)cc3=O)CC2)N1
InChIInChI=1S/C17H24F2N4O2/c18-17(19)14-8-16(25)23(11-20-14)9-12-4-6-22(7-5-12)10-13-2-1-3-15(24)21-13/h8,11-13,17H,1-7,9-10H2,(H,21,24)
InChIKeyYTCJSPNEHFPZED-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.56
Rot. Bonds5

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

6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126943991) has the molecular formula C17H24F2N4O2 and a molecular weight of 354.40 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126943991
Molecular FormulaC17H24F2N4O2
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C1CCCC(CN2CCC(Cn3cnc(C(F)F)cc3=O)CC2)N1
InChIInChI=1S/C17H24F2N4O2/c18-17(19)14-8-16(25)23(11-20-14)9-12-4-6-22(7-5-12)10-13-2-1-3-15(24)21-13/h8,11-13,17H,1-7,9-10H2,(H,21,24)
InChIKeyYTCJSPNEHFPZED-UHFFFAOYSA-N
XLogP1.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.56
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-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126943991) is 6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is O=C1CCCC(CN2CCC(Cn3cnc(C(F)F)cc3=O)CC2)N1.
What is the InChIKey of 6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is YTCJSPNEHFPZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N4O2/c18-17(19)14-8-16(25)23(11-20-14)9-12-4-6-22(7-5-12)10-13-2-1-3-15(24)21-13/h8,11-13,17H,1-7,9-10H2,(H,21,24).
What are the key properties of 6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 354.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[[1-[(6-oxopiperidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126943991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).