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

C22H32N2O — CID 71624387

IUPAC1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H32N2O/c1-17-20-11-7-8-12-21(20)24(22(17)25)19-13-15-23(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,17-19H,2-6,9-10,13-16H2,1H3
InChIKeyYLJQVYWTNUVLEP-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.71
Rot. Bonds2

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

1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one (PubChem CID 71624387) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one.

Molecular Properties

Compound Name1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one
PubChem CID71624387
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H32N2O/c1-17-20-11-7-8-12-21(20)24(22(17)25)19-13-15-23(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,17-19H,2-6,9-10,13-16H2,1H3
InChIKeyYLJQVYWTNUVLEP-UHFFFAOYSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.71
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-methyl-3H-indol-2-one?
The IUPAC name of 1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one (CID 71624387) is 1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one.
What is the SMILES notation for 1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one?
The canonical SMILES for 1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one is CC1C(=O)N(C2CCN(C3CCCCCCC3)CC2)c2ccccc21.
What is the InChIKey of 1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one?
The InChIKey is YLJQVYWTNUVLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-17-20-11-7-8-12-21(20)24(22(17)25)19-13-15-23(16-14-19)18-9-5-3-2-4-6-10-18/h7-8,11-12,17-19H,2-6,9-10,13-16H2,1H3.
What are the key properties of 1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one?
1-(1-cyclooctylpiperidin-4-yl)-3-methyl-3H-indol-2-one has a molecular weight of 340.51 g/mol, XLogP of 4.71, 2 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-methyl-3H-indol-2-one is sourced from PubChem (CID 71624387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).