5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione

C29H32N4O4 — CID 134130059

IUPAC5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CCN1CCN(NCc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C29H32N4O4/c1-36-24-11-12-26-25(19-24)28(34)29(35)33(26)18-15-31-13-16-32(17-14-31)30-20-23-9-5-6-10-27(23)37-21-22-7-3-2-4-8-22/h2-12,19,30H,13-18,20-21H2,1H3
InChIKeyREVGCETZXJKBCB-UHFFFAOYSA-N
MW500.60 g/mol
LogP3.13
Rot. Bonds10

About 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione

5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione (PubChem CID 134130059) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione.

Molecular Properties

Compound Name5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione
PubChem CID134130059
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Name5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione
SMILESCOc1ccc2c(c1)C(=O)C(=O)N2CCN1CCN(NCc2ccccc2OCc2ccccc2)CC1
InChIInChI=1S/C29H32N4O4/c1-36-24-11-12-26-25(19-24)28(34)29(35)33(26)18-15-31-13-16-32(17-14-31)30-20-23-9-5-6-10-27(23)37-21-22-7-3-2-4-8-22/h2-12,19,30H,13-18,20-21H2,1H3
InChIKeyREVGCETZXJKBCB-UHFFFAOYSA-N
XLogP3.13
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione with MolForge

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Related Compounds

1-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methoxyindole-2,3-dione
CID 23363894
5-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]indole-2,3-dione;dihydrochloride
CID 23363958
1-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-propan-2-ylindole-2,3-dione;dihydrochloride
CID 23363923
1-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-propan-2-ylindole-2,3-dione
CID 174421181
1-(2-ethylsulfonylethyl)-5-methoxyindole-2,3-dione
CID 61355618
5-[(2-methoxyphenyl)methoxy]-1-[(4-phenylphenyl)methyl]indole-2,3-dione
CID 52941359
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one
CID 23363964
1-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]indole-2,3-dione
CID 17023570
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione?
The IUPAC name of 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione (CID 134130059) is 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione.
What is the SMILES notation for 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione?
The canonical SMILES for 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione is COc1ccc2c(c1)C(=O)C(=O)N2CCN1CCN(NCc2ccccc2OCc2ccccc2)CC1.
What is the InChIKey of 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione?
The InChIKey is REVGCETZXJKBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-36-24-11-12-26-25(19-24)28(34)29(35)33(26)18-15-31-13-16-32(17-14-31)30-20-23-9-5-6-10-27(23)37-21-22-7-3-2-4-8-22/h2-12,19,30H,13-18,20-21H2,1H3.
What are the key properties of 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione?
5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione has a molecular weight of 500.60 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[2-[4-[(2-phenylmethoxyphenyl)methylamino]piperazin-1-yl]ethyl]indole-2,3-dione is sourced from PubChem (CID 134130059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).