1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one

C19H23N3O3 — CID 96572015

IUPAC1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one
SMILESCC[C@@H](C(=O)N1CCN(c2ccccc2OC)C(=O)C1)n1cccc1
InChIInChI=1S/C19H23N3O3/c1-3-15(20-10-6-7-11-20)19(24)21-12-13-22(18(23)14-21)16-8-4-5-9-17(16)25-2/h4-11,15H,3,12-14H2,1-2H3/t15-/m0/s1
InChIKeyOBWFYOZHNFADSV-HNNXBMFYSA-N
MW341.41 g/mol
LogP2.32
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one

1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one (PubChem CID 96572015) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one
PubChem CID96572015
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one
SMILESCC[C@@H](C(=O)N1CCN(c2ccccc2OC)C(=O)C1)n1cccc1
InChIInChI=1S/C19H23N3O3/c1-3-15(20-10-6-7-11-20)19(24)21-12-13-22(18(23)14-21)16-8-4-5-9-17(16)25-2/h4-11,15H,3,12-14H2,1-2H3/t15-/m0/s1
InChIKeyOBWFYOZHNFADSV-HNNXBMFYSA-N
XLogP2.32
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethoxyacetyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70778425
4-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 96576520
1-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoyl]piperazin-2-one
CID 70726432
1-(2-methoxyphenyl)-4-[(4R)-4-pyrrolidin-1-ylpentanoyl]piperazin-2-one
CID 96578674
4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70748158
4-[3-(3,5-dimethylpyrazolidin-4-yl)propanoyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 134064007
1-(2-methoxyphenyl)-4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-2-one
CID 97119292
4-[1-(azepan-1-yl)-1-oxopropan-2-yl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70781583
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97154552
4-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbonyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70707671
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
4-[(2S)-2-methoxy-2-phenylacetyl]-1-(2-methylphenyl)piperazin-2-one
CID 96571606

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one (CID 96572015) is 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one is CC[C@@H](C(=O)N1CCN(c2ccccc2OC)C(=O)C1)n1cccc1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one?
The InChIKey is OBWFYOZHNFADSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-15(20-10-6-7-11-20)19(24)21-12-13-22(18(23)14-21)16-8-4-5-9-17(16)25-2/h4-11,15H,3,12-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one?
1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one has a molecular weight of 341.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one is sourced from PubChem (CID 96572015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).