1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one

C23H28N2O4 — CID 108533625

IUPAC1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)CCCOc2ccc(C)cc2)CC1
InChIInChI=1S/C23H28N2O4/c1-18-9-11-19(12-10-18)29-17-5-8-22(26)24-13-15-25(16-14-24)23(27)20-6-3-4-7-21(20)28-2/h3-4,6-7,9-12H,5,8,13-17H2,1-2H3
InChIKeyZTPXTEHLURKHBO-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.15
Rot. Bonds7

About 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one

1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one (PubChem CID 108533625) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
PubChem CID108533625
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)CCCOc2ccc(C)cc2)CC1
InChIInChI=1S/C23H28N2O4/c1-18-9-11-19(12-10-18)29-17-5-8-22(26)24-13-15-25(16-14-24)23(27)20-6-3-4-7-21(20)28-2/h3-4,6-7,9-12H,5,8,13-17H2,1-2H3
InChIKeyZTPXTEHLURKHBO-UHFFFAOYSA-N
XLogP3.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-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-(2-methoxybenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 108533628
1-[4-(2-bromobenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108534152
4-chloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567685
1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108543863
2-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108533634
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 86977364
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 110365468
4-(4-methylphenoxy)-1-piperazin-1-ylbutan-1-one
CID 39257144
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-morpholin-4-ylbutan-1-one
CID 70778526
1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536250
4-(4-methylphenoxy)-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 108534850
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 110398993

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one?
The IUPAC name of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one (CID 108533625) is 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one.
What is the SMILES notation for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one?
The canonical SMILES for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one is COc1ccccc1C(=O)N1CCN(C(=O)CCCOc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one?
The InChIKey is ZTPXTEHLURKHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-18-9-11-19(12-10-18)29-17-5-8-22(26)24-13-15-25(16-14-24)23(27)20-6-3-4-7-21(20)28-2/h3-4,6-7,9-12H,5,8,13-17H2,1-2H3.
What are the key properties of 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one?
1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one has a molecular weight of 396.49 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxybenzoyl)piperazin-1-yl]-4-(4-methylphenoxy)butan-1-one is sourced from PubChem (CID 108533625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).