5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one

C25H32N2O4 — CID 70905609

IUPAC5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(CCCN1CCN(c3ccccc3OC)CC1)C2
InChIInChI=1S/C25H32N2O4/c1-29-22-9-5-4-8-21(22)27-13-11-26(12-14-27)10-6-7-18-15-19-16-23(30-2)24(31-3)17-20(19)25(18)28/h4-5,8-9,16-18H,6-7,10-15H2,1-3H3
InChIKeyYAZDXTXNQQVEIL-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.67
Rot. Bonds8

About 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one

5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one (PubChem CID 70905609) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one
PubChem CID70905609
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one
SMILESCOc1cc2c(cc1OC)C(=O)C(CCCN1CCN(c3ccccc3OC)CC1)C2
InChIInChI=1S/C25H32N2O4/c1-29-22-9-5-4-8-21(22)27-13-11-26(12-14-27)10-6-7-18-15-19-16-23(30-2)24(31-3)17-20(19)25(18)28/h4-5,8-9,16-18H,6-7,10-15H2,1-3H3
InChIKeyYAZDXTXNQQVEIL-UHFFFAOYSA-N
XLogP3.67
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-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-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381139
2-benzyl-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 10902071
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one
CID 19811491
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3,4-dihydroisoquinolin-1-one
CID 44582187
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-methyl-1,3-oxazolidin-2-one;dihydrochloride
CID 19811467
1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine
CID 21481034

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one (CID 70905609) is 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one is COc1cc2c(cc1OC)C(=O)C(CCCN1CCN(c3ccccc3OC)CC1)C2.
What is the InChIKey of 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one?
The InChIKey is YAZDXTXNQQVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-29-22-9-5-4-8-21(22)27-13-11-26(12-14-27)10-6-7-18-15-19-16-23(30-2)24(31-3)17-20(19)25(18)28/h4-5,8-9,16-18H,6-7,10-15H2,1-3H3.
What are the key properties of 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one?
5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one has a molecular weight of 424.54 g/mol, XLogP of 3.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 70905609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).