3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one

C10H13F2N3O — CID 121184623

IUPAC3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C10H13F2N3O/c1-14-7-4-13-8(9(14)16)15-5-2-10(11,12)3-6-15/h4,7H,2-3,5-6H2,1H3
InChIKeyKRPRPWSOBHMAEY-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.02
Rot. Bonds1

About 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one

3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one (PubChem CID 121184623) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one
PubChem CID121184623
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C10H13F2N3O/c1-14-7-4-13-8(9(14)16)15-5-2-10(11,12)3-6-15/h4,7H,2-3,5-6H2,1H3
InChIKeyKRPRPWSOBHMAEY-UHFFFAOYSA-N
XLogP1.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-(piperidin-1-YL)-1,2-dihydropyrazin-2-one
CID 53015072
5-Amino-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one
CID 171484623
5-Bromo-3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one
CID 171484656
1-Methyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 115486621
3-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 115656902
3-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazin-2-one
CID 115658612
3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2(1H)-one
CID 122160396
3-(3,3-difluoroazetidin-1-yl)-1-methylpyrazin-2(1H)-one
CID 122269404
1-Methyl-3-[3-(trifluoromethyl)piperidin-1-yl]pyrazin-2-one
CID 122269539
1-Methyl-3-[4-(trifluoromethyl)piperidin-1-yl]-1,2-dihydropyrazin-2-one
CID 126853074
3-[4-(Fluoromethyl)piperidin-1-yl]-1-methyl-1,2-dihydropyrazin-2-one
CID 166604872
3-[4-(Difluoromethyl)piperidin-1-yl]-1-methyl-1,2-dihydropyrazin-2-one
CID 166604873

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one (CID 121184623) is 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(F)(F)CC2)c1=O.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one?
The InChIKey is KRPRPWSOBHMAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-14-7-4-13-8(9(14)16)15-5-2-10(11,12)3-6-15/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one?
3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one has a molecular weight of 229.23 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)-1-methylpyrazin-2-one is sourced from PubChem (CID 121184623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).