3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one

C18H23N3O2 — CID 158598065

IUPAC3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCOc1ccccc1CCC1CCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C18H23N3O2/c1-20-12-10-19-17(18(20)22)21-11-9-14(13-21)7-8-15-5-3-4-6-16(15)23-2/h3-6,10,12,14H,7-9,11,13H2,1-2H3
InChIKeyHVGYNPUKZNTAAS-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.25
Rot. Bonds5

About 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one

3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one (PubChem CID 158598065) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one
PubChem CID158598065
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one
SMILESCOc1ccccc1CCC1CCN(c2nccn(C)c2=O)C1
InChIInChI=1S/C18H23N3O2/c1-20-12-10-19-17(18(20)22)21-11-9-14(13-21)7-8-15-5-3-4-6-16(15)23-2/h3-6,10,12,14H,7-9,11,13H2,1-2H3
InChIKeyHVGYNPUKZNTAAS-UHFFFAOYSA-N
XLogP2.25
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[3-(methylaminomethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 63267799
3-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1-methylpyrazin-2-one
CID 62938713
3-[4-(2-aminoethyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 62940456
methyl 1-(4-methyl-3-oxopyrazin-2-yl)pyrrolidine-3-carboxylate
CID 79033439
3-[(3S,4R)-4-[2-(2-fluorophenyl)acetyl]-3-methylpiperidin-1-yl]-1-methylpyrazin-2-one
CID 151916637
2-methoxy-3-[[4-[2-(2-methoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 22678532
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497
3-[3-[4-(2-fluorophenyl)butan-2-ylamino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 128974893
3-[3-(bromomethyl)pyrrolidin-1-yl]-1-propylpyrazin-2-one
CID 80680208
3-[(3R)-3-[[(2R)-1-methoxypropan-2-yl]amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475575
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one (CID 158598065) is 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one is COc1ccccc1CCC1CCN(c2nccn(C)c2=O)C1.
What is the InChIKey of 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one?
The InChIKey is HVGYNPUKZNTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-12-10-19-17(18(20)22)21-11-9-14(13-21)7-8-15-5-3-4-6-16(15)23-2/h3-6,10,12,14H,7-9,11,13H2,1-2H3.
What are the key properties of 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one?
3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one has a molecular weight of 313.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2-methoxyphenyl)ethyl]pyrrolidin-1-yl]-1-methylpyrazin-2-one is sourced from PubChem (CID 158598065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).