1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one

C23H34N2O — CID 71624388

IUPAC1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one
SMILESCCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C23H34N2O/c1-2-20-21-12-8-9-13-22(21)25(23(20)26)19-14-16-24(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-20H,2-7,10-11,14-17H2,1H3
InChIKeyKGUVKPUXAPIJSW-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.10
Rot. Bonds3

About 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one

1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one (PubChem CID 71624388) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one.

Molecular Properties

Compound Name1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one
PubChem CID71624388
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one
SMILESCCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C23H34N2O/c1-2-20-21-12-8-9-13-22(21)25(23(20)26)19-14-16-24(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-20H,2-7,10-11,14-17H2,1H3
InChIKeyKGUVKPUXAPIJSW-UHFFFAOYSA-N
XLogP5.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one?
The IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one (CID 71624388) is 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one.
What is the SMILES notation for 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one?
The canonical SMILES for 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one is CCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21.
What is the InChIKey of 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one?
The InChIKey is KGUVKPUXAPIJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-2-20-21-12-8-9-13-22(21)25(23(20)26)19-14-16-24(17-15-19)18-10-6-4-3-5-7-11-18/h8-9,12-13,18-20H,2-7,10-11,14-17H2,1H3.
What are the key properties of 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one?
1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one has a molecular weight of 354.54 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclooctylpiperidin-4-yl)-3-ethyl-3H-indol-2-one is sourced from PubChem (CID 71624388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).