2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone

C19H22N2O3 — CID 110879916

IUPAC2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(N2CCN(C(=O)C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-24-17-9-7-16(8-10-17)20-11-13-21(14-12-20)19(23)18(22)15-5-3-2-4-6-15/h2-10,18,22H,11-14H2,1H3
InChIKeyFDOSUYHURXBZEW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.08
Rot. Bonds4

About 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone

2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 110879916) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
PubChem CID110879916
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
SMILESCOc1ccc(N2CCN(C(=O)C(O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-24-17-9-7-16(8-10-17)20-11-13-21(14-12-20)19(23)18(22)15-5-3-2-4-6-15/h2-10,18,22H,11-14H2,1H3
InChIKeyFDOSUYHURXBZEW-UHFFFAOYSA-N
XLogP2.08
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone 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

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylpentan-1-one
CID 55334269
N-[4-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-phenylbutanamide
CID 58258535
2-hydroxy-2-phenyl-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 110879969
4-(4-methoxyphenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 108988796
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 7759872
(2S)-2-amino-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 22689945
5-[4-[2-hydroxy-2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 91776530
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 55919041
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 4039169
1-(4-benzhydrylpiperazin-1-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 55411668
2-[[4-(4-methoxyphenyl)piperazin-1-yl]-phenylmethyl]phenol
CID 174990296
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-phenyl-2-pyrrol-1-ylpropan-1-one
CID 5307622

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone (CID 110879916) is 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone is COc1ccc(N2CCN(C(=O)C(O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is FDOSUYHURXBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-17-9-7-16(8-10-17)20-11-13-21(14-12-20)19(23)18(22)15-5-3-2-4-6-15/h2-10,18,22H,11-14H2,1H3.
What are the key properties of 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone?
2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 326.40 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110879916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).