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

C24H34N2O2 — CID 15982660

IUPAC1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CO2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2
InChIInChI=1S/C24H34N2O2/c27-23-24(21-10-6-7-11-22(21)26(23)17-20-18-28-20)12-14-25(15-13-24)16-19-8-4-2-1-3-5-9-19/h6-7,10-11,19-20H,1-5,8-9,12-18H2
InChIKeySIVRWHNYRCMUQF-UHFFFAOYSA-N
MW382.55 g/mol
LogP4.13
Rot. Bonds4

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

1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 15982660) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID15982660
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Name1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CO2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2
InChIInChI=1S/C24H34N2O2/c27-23-24(21-10-6-7-11-22(21)26(23)17-20-18-28-20)12-14-25(15-13-24)16-19-8-4-2-1-3-5-9-19/h6-7,10-11,19-20H,1-5,8-9,12-18H2
InChIKeySIVRWHNYRCMUQF-UHFFFAOYSA-N
XLogP4.13
TPSA36.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (CID 15982660) is 1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is O=C1N(CC2CO2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2.
What is the InChIKey of 1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is SIVRWHNYRCMUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O2/c27-23-24(21-10-6-7-11-22(21)26(23)17-20-18-28-20)12-14-25(15-13-24)16-19-8-4-2-1-3-5-9-19/h6-7,10-11,19-20H,1-5,8-9,12-18H2.
What are the key properties of 1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 382.55 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclooctylmethyl)-1-(oxiran-2-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 15982660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).