3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one

C16H22F2N4O2 — CID 163357777

IUPAC3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)c1=O
InChIInChI=1S/C16H22F2N4O2/c1-20-10-6-19-13(15(20)24)22-7-2-3-12(11-22)14(23)21-8-4-16(17,18)5-9-21/h6,10,12H,2-5,7-9,11H2,1H3
InChIKeyLMSWOLYKJKMLIS-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.25
Rot. Bonds2

About 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one

3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 163357777) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID163357777
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)c1=O
InChIInChI=1S/C16H22F2N4O2/c1-20-10-6-19-13(15(20)24)22-7-2-3-12(11-22)14(23)21-8-4-16(17,18)5-9-21/h6,10,12H,2-5,7-9,11H2,1H3
InChIKeyLMSWOLYKJKMLIS-UHFFFAOYSA-N
XLogP1.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354027
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 163354691
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
N-methyl-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166605920
(4,4-difluoropiperidin-1-yl)-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanone
CID 165431783
5-methyl-1-[[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122123740
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one (CID 163357777) is 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)c1=O.
What is the InChIKey of 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is LMSWOLYKJKMLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c1-20-10-6-19-13(15(20)24)22-7-2-3-12(11-22)14(23)21-8-4-16(17,18)5-9-21/h6,10,12H,2-5,7-9,11H2,1H3.
What are the key properties of 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one?
3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 340.37 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 163357777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).