1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one

C28H42N2O — CID 15982526

IUPAC1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CCCCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2
InChIInChI=1S/C28H42N2O/c31-27-28(17-19-29(20-18-28)21-23-11-5-2-1-3-6-12-23)25-15-9-10-16-26(25)30(27)22-24-13-7-4-8-14-24/h9-10,15-16,23-24H,1-8,11-14,17-22H2
InChIKeySNJBDIZPYDZGGH-UHFFFAOYSA-N
MW422.66 g/mol
LogP6.31
Rot. Bonds4

About 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one

1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 15982526) has the molecular formula C28H42N2O and a molecular weight of 422.66 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID15982526
Molecular FormulaC28H42N2O
Molecular Weight422.66 g/mol
Exact Mass422.33
IUPAC Name1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CCCCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2
InChIInChI=1S/C28H42N2O/c31-27-28(17-19-29(20-18-28)21-23-11-5-2-1-3-6-12-23)25-15-9-10-16-26(25)30(27)22-24-13-7-4-8-14-24/h9-10,15-16,23-24H,1-8,11-14,17-22H2
InChIKeySNJBDIZPYDZGGH-UHFFFAOYSA-N
XLogP6.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.66
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one (CID 15982526) is 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one is O=C1N(CC2CCCCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2.
What is the InChIKey of 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is SNJBDIZPYDZGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O/c31-27-28(17-19-29(20-18-28)21-23-11-5-2-1-3-6-12-23)25-15-9-10-16-26(25)30(27)22-24-13-7-4-8-14-24/h9-10,15-16,23-24H,1-8,11-14,17-22H2.
What are the key properties of 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one?
1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 422.66 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1'-(cyclooctylmethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 15982526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).