4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one

C16H22N4O4 — CID 91628163

IUPAC4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOc1nccnc1OC1CCCN(C(=O)C2CC(=O)N(C)C2)C1
InChIInChI=1S/C16H22N4O4/c1-19-9-11(8-13(19)21)16(22)20-7-3-4-12(10-20)24-15-14(23-2)17-5-6-18-15/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyBPGFQIIQHZEUNV-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.33
Rot. Bonds4

About 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one

4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 91628163) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID91628163
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCOc1nccnc1OC1CCCN(C(=O)C2CC(=O)N(C)C2)C1
InChIInChI=1S/C16H22N4O4/c1-19-9-11(8-13(19)21)16(22)20-7-3-4-12(10-20)24-15-14(23-2)17-5-6-18-15/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyBPGFQIIQHZEUNV-UHFFFAOYSA-N
XLogP0.33
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 100659423
4-[3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 122261546
(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 100612118
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757116
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757122
1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636988
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-3-methylbut-2-en-1-one
CID 91628151
1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636858
[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 91628111
1-[3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 91628122
[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 100658000

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one (CID 91628163) is 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one is COc1nccnc1OC1CCCN(C(=O)C2CC(=O)N(C)C2)C1.
What is the InChIKey of 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is BPGFQIIQHZEUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-19-9-11(8-13(19)21)16(22)20-7-3-4-12(10-20)24-15-14(23-2)17-5-6-18-15/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one?
4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 334.38 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 91628163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).