1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one

C25H38N2O — CID 15982529

IUPAC1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)c1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C
InChIInChI=1S/C25H38N2O/c1-19(2)21-11-12-23-22(17-21)25(24(28)26(23)3)13-15-27(16-14-25)18-20-9-7-5-4-6-8-10-20/h11-12,17,19-20H,4-10,13-16,18H2,1-3H3
InChIKeyBRGXPHSPNFIBJM-UHFFFAOYSA-N
MW382.59 g/mol
LogP5.48
Rot. Bonds3

About 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one

1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 15982529) has the molecular formula C25H38N2O and a molecular weight of 382.59 g/mol. Its IUPAC name is 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID15982529
Molecular FormulaC25H38N2O
Molecular Weight382.59 g/mol
Exact Mass382.30
IUPAC Name1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCC(C)c1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C
InChIInChI=1S/C25H38N2O/c1-19(2)21-11-12-23-22(17-21)25(24(28)26(23)3)13-15-27(16-14-25)18-20-9-7-5-4-6-8-10-20/h11-12,17,19-20H,4-10,13-16,18H2,1-3H3
InChIKeyBRGXPHSPNFIBJM-UHFFFAOYSA-N
XLogP5.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.59
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one (CID 15982529) is 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one is CC(C)c1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C.
What is the InChIKey of 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is BRGXPHSPNFIBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O/c1-19(2)21-11-12-23-22(17-21)25(24(28)26(23)3)13-15-27(16-14-25)18-20-9-7-5-4-6-8-10-20/h11-12,17,19-20H,4-10,13-16,18H2,1-3H3.
What are the key properties of 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one?
1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 382.59 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclooctylmethyl)-1-methyl-5-propan-2-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 15982529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).