1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one

C24H36N2O2 — CID 15983067

IUPAC1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(OC)cc21
InChIInChI=1S/C24H36N2O2/c1-3-26-22-17-20(28-2)11-12-21(22)24(23(26)27)13-15-25(16-14-24)18-19-9-7-5-4-6-8-10-19/h11-12,17,19H,3-10,13-16,18H2,1-2H3
InChIKeySAENFLUGFXJZCR-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.76
Rot. Bonds4

About 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one

1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one (PubChem CID 15983067) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one
PubChem CID15983067
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(OC)cc21
InChIInChI=1S/C24H36N2O2/c1-3-26-22-17-20(28-2)11-12-21(22)24(23(26)27)13-15-25(16-14-24)18-19-9-7-5-4-6-8-10-19/h11-12,17,19H,3-10,13-16,18H2,1-2H3
InChIKeySAENFLUGFXJZCR-UHFFFAOYSA-N
XLogP4.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one (CID 15983067) is 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccc(OC)cc21.
What is the InChIKey of 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is SAENFLUGFXJZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-3-26-22-17-20(28-2)11-12-21(22)24(23(26)27)13-15-25(16-14-24)18-19-9-7-5-4-6-8-10-19/h11-12,17,19H,3-10,13-16,18H2,1-2H3.
What are the key properties of 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one?
1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 384.56 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclooctylmethyl)-1-ethyl-6-methoxyspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 15983067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).