1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride

C22H27Cl2N3O3 — CID 23363958

IUPAC1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride
SMILESCOc1ccccc1CN1CCN(CCN2C(=O)C(=O)c3ccccc32)CC1.Cl.Cl
InChIInChI=1S/C22H25N3O3.2ClH/c1-28-20-9-5-2-6-17(20)16-24-12-10-23(11-13-24)14-15-25-19-8-4-3-7-18(19)21(26)22(25)27;;/h2-9H,10-16H2,1H3;2*1H
InChIKeySYUDDXHLZJIZRJ-UHFFFAOYSA-N
MW452.38 g/mol
LogP2.89
Rot. Bonds6

About 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride

1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride (PubChem CID 23363958) has the molecular formula C22H27Cl2N3O3 and a molecular weight of 452.38 g/mol. Its IUPAC name is 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride.

Molecular Properties

Compound Name1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride
PubChem CID23363958
Molecular FormulaC22H27Cl2N3O3
Molecular Weight452.38 g/mol
Exact Mass451.14
IUPAC Name1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride
SMILESCOc1ccccc1CN1CCN(CCN2C(=O)C(=O)c3ccccc32)CC1.Cl.Cl
InChIInChI=1S/C22H25N3O3.2ClH/c1-28-20-9-5-2-6-17(20)16-24-12-10-23(11-13-24)14-15-25-19-8-4-3-7-18(19)21(26)22(25)27;;/h2-9H,10-16H2,1H3;2*1H
InChIKeySYUDDXHLZJIZRJ-UHFFFAOYSA-N
XLogP2.89
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride 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-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-propan-2-ylindole-2,3-dione;dihydrochloride
CID 23363923
1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 9330466
2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
1-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxyindole-2,3-dione
CID 23363894
1-[3-(4-benzylpiperazin-1-yl)propyl]indole-2,3-dione
CID 23363916
5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione
CID 134130059
1-[(2-methoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4730255
1-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 9282637
6-bromo-1-[(2-methoxyphenyl)methyl]indole-2,3-dione
CID 60711521
1-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]indole-2,3-dione
CID 20502550
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4,4-dimethylisoquinoline-1,3-dione;trihydrochloride
CID 141131437
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride?
The IUPAC name of 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride (CID 23363958) is 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride.
What is the SMILES notation for 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride?
The canonical SMILES for 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride is COc1ccccc1CN1CCN(CCN2C(=O)C(=O)c3ccccc32)CC1.Cl.Cl.
What is the InChIKey of 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride?
The InChIKey is SYUDDXHLZJIZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.2ClH/c1-28-20-9-5-2-6-17(20)16-24-12-10-23(11-13-24)14-15-25-19-8-4-3-7-18(19)21(26)22(25)27;;/h2-9H,10-16H2,1H3;2*1H.
What are the key properties of 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride?
1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride has a molecular weight of 452.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride is sourced from PubChem (CID 23363958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).