1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one

C18H25N3O3 — CID 97119292

IUPAC1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C18H25N3O3/c1-14(18(23)19-9-5-6-10-19)20-11-12-21(17(22)13-20)15-7-3-4-8-16(15)24-2/h3-4,7-8,14H,5-6,9-13H2,1-2H3/t14-/m1/s1
InChIKeyURYLJGFMJOUAQF-CQSZACIVSA-N
MW331.42 g/mol
LogP1.35
Rot. Bonds4

About 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one

1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one (PubChem CID 97119292) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one
PubChem CID97119292
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one
SMILESCOc1ccccc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1=O
InChIInChI=1S/C18H25N3O3/c1-14(18(23)19-9-5-6-10-19)20-11-12-21(17(22)13-20)15-7-3-4-8-16(15)24-2/h3-4,7-8,14H,5-6,9-13H2,1-2H3/t14-/m1/s1
InChIKeyURYLJGFMJOUAQF-CQSZACIVSA-N
XLogP1.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70781583
1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
CID 96578674
4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 96576520
4-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbonyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70707671
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 46614027
1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one
CID 96572015
4-(2-ethoxyacetyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70778425
4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70748158
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 92987474
(2S)-2-[4-[(2-chloro-6-methoxyphenyl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97160455
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one (CID 97119292) is 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one is COc1ccccc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one?
The InChIKey is URYLJGFMJOUAQF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-14(18(23)19-9-5-6-10-19)20-11-12-21(17(22)13-20)15-7-3-4-8-16(15)24-2/h3-4,7-8,14H,5-6,9-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one?
1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one is sourced from PubChem (CID 97119292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).