3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one

C18H19F2N3O2 — CID 69356159

IUPAC3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(C(=O)Cc3c(F)cccc3F)CC2)c1=O
InChIInChI=1S/C18H19F2N3O2/c1-22-10-7-21-17(18(22)25)23-8-5-12(6-9-23)16(24)11-13-14(19)3-2-4-15(13)20/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyRWGDDZULZLPRPM-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.09
Rot. Bonds4

About 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one

3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 69356159) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID69356159
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(C(=O)Cc3c(F)cccc3F)CC2)c1=O
InChIInChI=1S/C18H19F2N3O2/c1-22-10-7-21-17(18(22)25)23-8-5-12(6-9-23)16(24)11-13-14(19)3-2-4-15(13)20/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyRWGDDZULZLPRPM-UHFFFAOYSA-N
XLogP2.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one
CID 151916637
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401
2,3-difluoro-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]benzamide
CID 129475393
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
3-[4-(difluoromethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 166604873
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-1-methylpyrazin-2-one
CID 62939060
3-[4-(2-aminoethoxy)piperidin-1-yl]-1-methylpyrazin-2-one
CID 82692612
3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128974893
1-(furan-2-ylmethyl)-3-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 128975594
N-tert-butyl-1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxamide
CID 155799700

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one (CID 69356159) is 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(C(=O)Cc3c(F)cccc3F)CC2)c1=O.
What is the InChIKey of 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is RWGDDZULZLPRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-22-10-7-21-17(18(22)25)23-8-5-12(6-9-23)16(24)11-13-14(19)3-2-4-15(13)20/h2-4,7,10,12H,5-6,8-9,11H2,1H3.
What are the key properties of 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one?
3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 347.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 69356159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).