1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one

C25H27N3O2 — CID 11281062

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)c3cccc4cccc2c34)CC1
InChIInChI=1S/C25H27N3O2/c1-30-23-12-3-2-10-21(23)27-17-15-26(16-18-27)13-6-14-28-22-11-5-8-19-7-4-9-20(24(19)22)25(28)29/h2-5,7-12H,6,13-18H2,1H3
InChIKeyKKWLAMDBMSSPBI-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.02
Rot. Bonds6

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one (PubChem CID 11281062) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one
PubChem CID11281062
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one
SMILESCOc1ccccc1N1CCN(CCCN2C(=O)c3cccc4cccc2c34)CC1
InChIInChI=1S/C25H27N3O2/c1-30-23-12-3-2-10-21(23)27-17-15-26(16-18-27)13-6-14-28-22-11-5-8-19-7-4-9-20(24(19)22)25(28)29/h2-5,7-12H,6,13-18H2,1H3
InChIKeyKKWLAMDBMSSPBI-UHFFFAOYSA-N
XLogP4.02
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one (CID 11281062) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one is COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4cccc2c34)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one?
The InChIKey is KKWLAMDBMSSPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-30-23-12-3-2-10-21(23)27-17-15-26(16-18-27)13-6-14-28-22-11-5-8-19-7-4-9-20(24(19)22)25(28)29/h2-5,7-12H,6,13-18H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one has a molecular weight of 401.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzo[cd]indol-2-one is sourced from PubChem (CID 11281062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).