1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one

C23H23N3O2 — CID 11417450

IUPAC1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one
SMILESCOc1ccccc1N1CCN(CN2C(=O)c3cccc4cccc2c34)CC1
InChIInChI=1S/C23H23N3O2/c1-28-21-11-3-2-9-19(21)25-14-12-24(13-15-25)16-26-20-10-5-7-17-6-4-8-18(22(17)20)23(26)27/h2-11H,12-16H2,1H3
InChIKeyYEKDMNRDWLYGIW-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.59
Rot. Bonds4

About 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one

1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one (PubChem CID 11417450) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one
PubChem CID11417450
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one
SMILESCOc1ccccc1N1CCN(CN2C(=O)c3cccc4cccc2c34)CC1
InChIInChI=1S/C23H23N3O2/c1-28-21-11-3-2-9-19(21)25-14-12-24(13-15-25)16-26-20-10-5-7-17-6-4-8-18(22(17)20)23(26)27/h2-11H,12-16H2,1H3
InChIKeyYEKDMNRDWLYGIW-UHFFFAOYSA-N
XLogP3.59
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one (CID 11417450) is 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one is COc1ccccc1N1CCN(CN2C(=O)c3cccc4cccc2c34)CC1.
What is the InChIKey of 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one?
The InChIKey is YEKDMNRDWLYGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-28-21-11-3-2-9-19(21)25-14-12-24(13-15-25)16-26-20-10-5-7-17-6-4-8-18(22(17)20)23(26)27/h2-11H,12-16H2,1H3.
What are the key properties of 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one?
1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one has a molecular weight of 373.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]benzo[cd]indol-2-one is sourced from PubChem (CID 11417450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).