1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone

C17H17N3O — CID 2328568

IUPAC1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1
InChIInChI=1S/C17H17N3O/c1-12(21)19-8-10-20(11-9-19)17-14-6-2-4-13-5-3-7-15(18-17)16(13)14/h2-7H,8-11H2,1H3
InChIKeyOIPWYTXPDHHORU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.40
Rot. Bonds

About 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone

1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone (PubChem CID 2328568) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone
PubChem CID2328568
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1
InChIInChI=1S/C17H17N3O/c1-12(21)19-8-10-20(11-9-19)17-14-6-2-4-13-5-3-7-15(18-17)16(13)14/h2-7H,8-11H2,1H3
InChIKeyOIPWYTXPDHHORU-UHFFFAOYSA-N
XLogP2.40
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone (CID 2328568) is 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C2=Nc3cccc4cccc2c34)CC1.
What is the InChIKey of 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OIPWYTXPDHHORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(21)19-8-10-20(11-9-19)17-14-6-2-4-13-5-3-7-15(18-17)16(13)14/h2-7H,8-11H2,1H3.
What are the key properties of 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone?
1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzo[cd]indol-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2328568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).