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

C26H38N2O2 — CID 15982528

IUPAC1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one
SMILESCOc1ccc2c(c1)N(CC1CC1)C(=O)C21CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C26H38N2O2/c1-30-22-11-12-23-24(17-22)28(19-21-9-10-21)25(29)26(23)13-15-27(16-14-26)18-20-7-5-3-2-4-6-8-20/h11-12,17,20-21H,2-10,13-16,18-19H2,1H3
InChIKeyVPULAKGHRZPYSW-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.15
Rot. Bonds5

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

1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one (PubChem CID 15982528) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is 1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one
PubChem CID15982528
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one
SMILESCOc1ccc2c(c1)N(CC1CC1)C(=O)C21CCN(CC2CCCCCCC2)CC1
InChIInChI=1S/C26H38N2O2/c1-30-22-11-12-23-24(17-22)28(19-21-9-10-21)25(29)26(23)13-15-27(16-14-26)18-20-7-5-3-2-4-6-8-20/h11-12,17,20-21H,2-10,13-16,18-19H2,1H3
InChIKeyVPULAKGHRZPYSW-UHFFFAOYSA-N
XLogP5.15
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one (CID 15982528) is 1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one is COc1ccc2c(c1)N(CC1CC1)C(=O)C21CCN(CC2CCCCCCC2)CC1.
What is the InChIKey of 1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is VPULAKGHRZPYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-30-22-11-12-23-24(17-22)28(19-21-9-10-21)25(29)26(23)13-15-27(16-14-26)18-20-7-5-3-2-4-6-8-20/h11-12,17,20-21H,2-10,13-16,18-19H2,1H3.
What are the key properties of 1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one?
1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 410.60 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclooctylmethyl)-1-(cyclopropylmethyl)-6-methoxyspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 15982528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).