1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one

C17H18N2O — CID 722274

IUPAC1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CN1CCCCC1
InChIInChI=1S/C17H18N2O/c20-17-14-8-4-6-13-7-5-9-15(16(13)14)19(17)12-18-10-2-1-3-11-18/h4-9H,1-3,10-12H2
InChIKeyOKTDFHAGWGHQSF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.24
Rot. Bonds2

About 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one

1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one (PubChem CID 722274) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one
PubChem CID722274
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one
SMILESO=C1c2cccc3cccc(c23)N1CN1CCCCC1
InChIInChI=1S/C17H18N2O/c20-17-14-8-4-6-13-7-5-9-15(16(13)14)19(17)12-18-10-2-1-3-11-18/h4-9H,1-3,10-12H2
InChIKeyOKTDFHAGWGHQSF-UHFFFAOYSA-N
XLogP3.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one?
The IUPAC name of 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one (CID 722274) is 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one?
The canonical SMILES for 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one is O=C1c2cccc3cccc(c23)N1CN1CCCCC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one?
The InChIKey is OKTDFHAGWGHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17-14-8-4-6-13-7-5-9-15(16(13)14)19(17)12-18-10-2-1-3-11-18/h4-9H,1-3,10-12H2.
What are the key properties of 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one?
1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)benzo[cd]indol-2-one is sourced from PubChem (CID 722274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).