3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one

C17H25ClN2O3 — CID 83952625

IUPAC3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCCOc1cc(CCC(=O)N2CCNCC2)cc(Cl)c1OCC
InChIInChI=1S/C17H25ClN2O3/c1-3-22-15-12-13(11-14(18)17(15)23-4-2)5-6-16(21)20-9-7-19-8-10-20/h11-12,19H,3-10H2,1-2H3
InChIKeyCPLMADNFEOGBHB-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.50
Rot. Bonds7

About 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one

3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 83952625) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID83952625
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCCOc1cc(CCC(=O)N2CCNCC2)cc(Cl)c1OCC
InChIInChI=1S/C17H25ClN2O3/c1-3-22-15-12-13(11-14(18)17(15)23-4-2)5-6-16(21)20-9-7-19-8-10-20/h11-12,19H,3-10H2,1-2H3
InChIKeyCPLMADNFEOGBHB-UHFFFAOYSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-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

3-(3-amino-4,5-diethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070956
2-[2-chloro-6-ethoxy-4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylethanone
CID 97179268
3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82071054
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257
4-[2-(3-chloro-4,5-diethoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 20992240
1-piperazin-1-yl-3-(2,4,6-trichlorophenoxy)propan-1-one
CID 62544265
4-(2-ethoxy-5-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933648
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
3-(4-chloro-2,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82648208
3-(5-chloro-4-methyl-2-propoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83937750
3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-piperazin-1-ylpropan-1-one
CID 112720332

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one (CID 83952625) is 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one is CCOc1cc(CCC(=O)N2CCNCC2)cc(Cl)c1OCC.
What is the InChIKey of 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is CPLMADNFEOGBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-3-22-15-12-13(11-14(18)17(15)23-4-2)5-6-16(21)20-9-7-19-8-10-20/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one?
3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 340.85 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4,5-diethoxyphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 83952625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).