4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one

C15H21N3O4 — CID 70748158

IUPAC4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)CC(O)CN)CC1=O
InChIInChI=1S/C15H21N3O4/c1-22-13-5-3-2-4-12(13)18-7-6-17(10-15(18)21)14(20)8-11(19)9-16/h2-5,11,19H,6-10,16H2,1H3
InChIKeyJPLQQNVGRWENPG-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.42
Rot. Bonds5

About 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one

4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one (PubChem CID 70748158) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one
PubChem CID70748158
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one
SMILESCOc1ccccc1N1CCN(C(=O)CC(O)CN)CC1=O
InChIInChI=1S/C15H21N3O4/c1-22-13-5-3-2-4-12(13)18-7-6-17(10-15(18)21)14(20)8-11(19)9-16/h2-5,11,19H,6-10,16H2,1H3
InChIKeyJPLQQNVGRWENPG-UHFFFAOYSA-N
XLogP-0.42
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethoxyacetyl)-1-(2-methoxyphenyl)piperazin-2-one
CID 70778425
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-[(2R)-2-(4-fluorophenyl)-2-hydroxyacetyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 96576520
4-[3-(3,5-dimethylpyrazolidin-4-yl)propanoyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 134064007
1-(2-methoxyphenyl)-4-[(2S)-2-pyrrol-1-ylbutanoyl]piperazin-2-one
CID 96572015
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
4-[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1-carbonyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 70707671
3-amino-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952615
3-amino-2-methoxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 106111168
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
CID 96577420

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one (CID 70748158) is 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one is COc1ccccc1N1CCN(C(=O)CC(O)CN)CC1=O.
What is the InChIKey of 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one?
The InChIKey is JPLQQNVGRWENPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-22-13-5-3-2-4-12(13)18-7-6-17(10-15(18)21)14(20)8-11(19)9-16/h2-5,11,19H,6-10,16H2,1H3.
What are the key properties of 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one?
4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one has a molecular weight of 307.35 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-hydroxybutanoyl)-1-(2-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 70748158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).