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

C22H32N2O — CID 11544654

IUPAC1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H32N2O/c1-23-20-12-8-7-11-19(20)22(21(23)25)13-15-24(16-14-22)17-18-9-5-3-2-4-6-10-18/h7-8,11-12,18H,2-6,9-10,13-17H2,1H3
InChIKeyRBIGSFOWRDPPKF-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.36
Rot. Bonds2

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

1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 11544654) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID11544654
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21
InChIInChI=1S/C22H32N2O/c1-23-20-12-8-7-11-19(20)22(21(23)25)13-15-24(16-14-22)17-18-9-5-3-2-4-6-10-18/h7-8,11-12,18H,2-6,9-10,13-17H2,1H3
InChIKeyRBIGSFOWRDPPKF-UHFFFAOYSA-N
XLogP4.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 11544654) is 1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21.
What is the InChIKey of 1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is RBIGSFOWRDPPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O/c1-23-20-12-8-7-11-19(20)22(21(23)25)13-15-24(16-14-22)17-18-9-5-3-2-4-6-10-18/h7-8,11-12,18H,2-6,9-10,13-17H2,1H3.
What are the key properties of 1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 340.51 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclooctylmethyl)-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 11544654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).