6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one

C14H17F2N3O2 — CID 139028946

IUPAC6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17F2N3O2/c15-14(16)3-5-18(6-4-14)13(21)8-19-9-17-11(7-12(19)20)10-1-2-10/h7,9-10H,1-6,8H2
InChIKeyMAGIOPHBEYWVKA-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.38
Rot. Bonds3

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

6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one (PubChem CID 139028946) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
PubChem CID139028946
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17F2N3O2/c15-14(16)3-5-18(6-4-14)13(21)8-19-9-17-11(7-12(19)20)10-1-2-10/h7,9-10H,1-6,8H2
InChIKeyMAGIOPHBEYWVKA-UHFFFAOYSA-N
XLogP1.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one (CID 139028946) is 6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one is O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(F)(F)CC1.
What is the InChIKey of 6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
The InChIKey is MAGIOPHBEYWVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-14(16)3-5-18(6-4-14)13(21)8-19-9-17-11(7-12(19)20)10-1-2-10/h7,9-10H,1-6,8H2.
What are the key properties of 6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one?
6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one has a molecular weight of 297.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 139028946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).