1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one

C22H34N2O — CID 143069850

IUPAC1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one
SMILESCCCCCC(CCC)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C22H34N2O/c1-3-5-6-11-19(9-4-2)23-15-13-20(14-16-23)24-21-12-8-7-10-18(21)17-22(24)25/h7-8,10,12,19-20H,3-6,9,11,13-17H2,1-2H3
InChIKeyJXGZLJIKOLOVPZ-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.79
Rot. Bonds8

About 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one

1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one (PubChem CID 143069850) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one.

Molecular Properties

Compound Name1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one
PubChem CID143069850
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one
SMILESCCCCCC(CCC)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C22H34N2O/c1-3-5-6-11-19(9-4-2)23-15-13-20(14-16-23)24-21-12-8-7-10-18(21)17-22(24)25/h7-8,10,12,19-20H,3-6,9,11,13-17H2,1-2H3
InChIKeyJXGZLJIKOLOVPZ-UHFFFAOYSA-N
XLogP4.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one?
The IUPAC name of 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one (CID 143069850) is 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one.
What is the SMILES notation for 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one?
The canonical SMILES for 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one is CCCCCC(CCC)N1CCC(N2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one?
The InChIKey is JXGZLJIKOLOVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-3-5-6-11-19(9-4-2)23-15-13-20(14-16-23)24-21-12-8-7-10-18(21)17-22(24)25/h7-8,10,12,19-20H,3-6,9,11,13-17H2,1-2H3.
What are the key properties of 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one?
1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one has a molecular weight of 342.53 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-nonan-4-ylpiperidin-4-yl)-3H-indol-2-one is sourced from PubChem (CID 143069850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).