3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one

C11H15F2N3O — CID 166604873

IUPAC3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(C(F)F)CC2)c1=O
InChIInChI=1S/C11H15F2N3O/c1-15-7-4-14-10(11(15)17)16-5-2-8(3-6-16)9(12)13/h4,7-9H,2-3,5-6H2,1H3
InChIKeyIKLGPKBMKVUDTB-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.26
Rot. Bonds2

About 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 166604873) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID166604873
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(C(F)F)CC2)c1=O
InChIInChI=1S/C11H15F2N3O/c1-15-7-4-14-10(11(15)17)16-5-2-8(3-6-16)9(12)13/h4,7-9H,2-3,5-6H2,1H3
InChIKeyIKLGPKBMKVUDTB-UHFFFAOYSA-N
XLogP1.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(1-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 63596080
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
1-methyl-3-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrazin-2-one
CID 121020704
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 82692612
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
3-[4-(3-aminopropoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 79735589
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one (CID 166604873) is 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(C(F)F)CC2)c1=O.
What is the InChIKey of 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is IKLGPKBMKVUDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-15-7-4-14-10(11(15)17)16-5-2-8(3-6-16)9(12)13/h4,7-9H,2-3,5-6H2,1H3.
What are the key properties of 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 243.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 166604873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).