1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one

C20H24N2O2 — CID 113075303

IUPAC1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCc1ccc(N2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-17-7-9-18(10-8-17)21-12-14-22(15-13-21)20(23)11-16-24-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyKOVNTJCDYNIWGV-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.11
Rot. Bonds5

About 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one

1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one (PubChem CID 113075303) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
PubChem CID113075303
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one
SMILESCc1ccc(N2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O2/c1-17-7-9-18(10-8-17)21-12-14-22(15-13-21)20(23)11-16-24-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKeyKOVNTJCDYNIWGV-UHFFFAOYSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one 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-hydroxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 2423189
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
3-phenoxy-1-[4-(4-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076206
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 113078847
3-phenoxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
CID 113078078
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
3-(4-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one
CID 8922275
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one (CID 113075303) is 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one is Cc1ccc(N2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one?
The InChIKey is KOVNTJCDYNIWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-17-7-9-18(10-8-17)21-12-14-22(15-13-21)20(23)11-16-24-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3.
What are the key properties of 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one?
1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one has a molecular weight of 324.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenyl)piperazin-1-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 113075303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).