3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one

C19H22FN3O2 — CID 151916637

IUPAC3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one
SMILESC[C@@H]1CN(c2nccn(C)c2=O)CC[C@H]1C(=O)Cc1ccccc1F
InChIInChI=1S/C19H22FN3O2/c1-13-12-23(18-19(25)22(2)10-8-21-18)9-7-15(13)17(24)11-14-5-3-4-6-16(14)20/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15-/m1/s1
InChIKeySVWWTOHFNSRWLI-UKRRQHHQSA-N
MW343.40 g/mol
LogP2.19
Rot. Bonds4

About 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one

3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 151916637) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one
PubChem CID151916637
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one
SMILESC[C@@H]1CN(c2nccn(C)c2=O)CC[C@H]1C(=O)Cc1ccccc1F
InChIInChI=1S/C19H22FN3O2/c1-13-12-23(18-19(25)22(2)10-8-21-18)9-7-15(13)17(24)11-14-5-3-4-6-16(14)20/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15-/m1/s1
InChIKeySVWWTOHFNSRWLI-UKRRQHHQSA-N
XLogP2.19
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(2,6-difluorophenyl)acetyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 69356159
3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128974893
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
1-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 59028253
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-2-(2-fluorophenyl)ethanone
CID 67047291
2,3-difluoro-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]benzamide
CID 129475393
3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 158598065
3-[(3S)-3-aminopyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 94897001
3-[3-(chloromethyl)pyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 63390246
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one (CID 151916637) is 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one is C[C@@H]1CN(c2nccn(C)c2=O)CC[C@H]1C(=O)Cc1ccccc1F.
What is the InChIKey of 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is SVWWTOHFNSRWLI-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-12-23(18-19(25)22(2)10-8-21-18)9-7-15(13)17(24)11-14-5-3-4-6-16(14)20/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one?
3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 343.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 151916637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).