2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone

C19H27N3O3 — CID 146087611

IUPAC2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H27N3O3/c23-17-6-4-5-16(13-17)14-18(24)22-11-9-20(10-12-22)15-19(25)21-7-2-1-3-8-21/h4-6,13,23H,1-3,7-12,14-15H2
InChIKeyXUQBNSKUSVLPMH-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.09
Rot. Bonds4

About 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone

2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 146087611) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID146087611
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1cccc(O)c1)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H27N3O3/c23-17-6-4-5-16(13-17)14-18(24)22-11-9-20(10-12-22)15-19(25)21-7-2-1-3-8-21/h4-6,13,23H,1-3,7-12,14-15H2
InChIKeyXUQBNSKUSVLPMH-UHFFFAOYSA-N
XLogP1.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 9118318
N'-hydroxy-2-[4-[2-(3-hydroxyphenyl)acetyl]piperazin-1-yl]ethanimidamide
CID 77011790
2-(3-hydroxyphenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62735027
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
1-(3-hydroxyphenyl)-3-pyrrolidin-1-ylpropan-2-one
CID 141149374
1-(3-azaspiro[5.5]undecan-3-yl)-2-(3-hydroxyphenyl)ethanone
CID 62865664
2-(4-aminophenyl)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119836881
2-(3-hydroxyphenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61399745
2-(4-aminophenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837247
4-[2-(3-hydroxyphenyl)acetyl]piperazine-1-sulfonamide
CID 61399968
1-[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-piperidin-1-ylethanone
CID 166623031
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 78793298

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone (CID 146087611) is 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone is O=C(Cc1cccc(O)c1)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is XUQBNSKUSVLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-17-6-4-5-16(13-17)14-18(24)22-11-9-20(10-12-22)15-19(25)21-7-2-1-3-8-21/h4-6,13,23H,1-3,7-12,14-15H2.
What are the key properties of 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone?
2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 345.44 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 146087611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).