2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde

C23H28N2O5 — CID 7960461

IUPAC2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C23H28N2O5/c1-3-14-29-21-7-4-18(16-26)22(15-21)30-17-23(27)25-12-10-24(11-13-25)19-5-8-20(28-2)9-6-19/h4-9,15-16H,3,10-14,17H2,1-2H3
InChIKeyDSGGTMPFHKKORQ-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.02
Rot. Bonds9

About 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde

2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde (PubChem CID 7960461) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde
PubChem CID7960461
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde
SMILESCCCOc1ccc(C=O)c(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C23H28N2O5/c1-3-14-29-21-7-4-18(16-26)22(15-21)30-17-23(27)25-12-10-24(11-13-25)19-5-8-20(28-2)9-6-19/h4-9,15-16H,3,10-14,17H2,1-2H3
InChIKeyDSGGTMPFHKKORQ-UHFFFAOYSA-N
XLogP3.02
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde 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

2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzaldehyde
CID 78878555
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-phenoxyethoxy)ethanone
CID 55756147
1-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 58748767
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(propylamino)ethanone
CID 60648289
2-(4-methoxyphenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9253973
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenoxy]ethanone
CID 7274685
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde?
The IUPAC name of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde (CID 7960461) is 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde.
What is the SMILES notation for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde?
The canonical SMILES for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde is CCCOc1ccc(C=O)c(OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1.
What is the InChIKey of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde?
The InChIKey is DSGGTMPFHKKORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-3-14-29-21-7-4-18(16-26)22(15-21)30-17-23(27)25-12-10-24(11-13-25)19-5-8-20(28-2)9-6-19/h4-9,15-16H,3,10-14,17H2,1-2H3.
What are the key properties of 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde?
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde has a molecular weight of 412.49 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-4-propoxybenzaldehyde is sourced from PubChem (CID 7960461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).