1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one

C27H36N2O6 — CID 110180814

IUPAC1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCCOc1cc(C(=O)N2CCN(CCC(=O)c3cccc(OC)c3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C27H36N2O6/c1-5-33-24-18-21(19-25(34-6-2)26(24)35-7-3)27(31)29-15-13-28(14-16-29)12-11-23(30)20-9-8-10-22(17-20)32-4/h8-10,17-19H,5-7,11-16H2,1-4H3
InChIKeyMXTQDJDKCQHXGC-UHFFFAOYSA-N
MW484.59 g/mol
LogP3.92
Rot. Bonds12

About 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one

1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110180814) has the molecular formula C27H36N2O6 and a molecular weight of 484.59 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110180814
Molecular FormulaC27H36N2O6
Molecular Weight484.59 g/mol
Exact Mass484.26
IUPAC Name1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCCOc1cc(C(=O)N2CCN(CCC(=O)c3cccc(OC)c3)CC2)cc(OCC)c1OCC
InChIInChI=1S/C27H36N2O6/c1-5-33-24-18-21(19-25(34-6-2)26(24)35-7-3)27(31)29-15-13-28(14-16-29)12-11-23(30)20-9-8-10-22(17-20)32-4/h8-10,17-19H,5-7,11-16H2,1-4H3
InChIKeyMXTQDJDKCQHXGC-UHFFFAOYSA-N
XLogP3.92
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-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-(3-methoxyphenyl)-3-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110180457
1-(3-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 46743519
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 23905789
1-(3,4-dimethoxyphenyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110368800
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 33323201
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one (CID 110180814) is 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one is CCOc1cc(C(=O)N2CCN(CCC(=O)c3cccc(OC)c3)CC2)cc(OCC)c1OCC.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is MXTQDJDKCQHXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O6/c1-5-33-24-18-21(19-25(34-6-2)26(24)35-7-3)27(31)29-15-13-28(14-16-29)12-11-23(30)20-9-8-10-22(17-20)32-4/h8-10,17-19H,5-7,11-16H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one?
1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 484.59 g/mol, XLogP of 3.92, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110180814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).