1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one

C22H31FN2O — CID 11710187

IUPAC1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C22H31FN2O/c1-24-20-10-9-18(23)15-19(20)22(21(24)26)11-13-25(14-12-22)16-17-7-5-3-2-4-6-8-17/h9-10,15,17H,2-8,11-14,16H2,1H3
InChIKeyNRNLUSZSMWQZFV-UHFFFAOYSA-N
MW358.50 g/mol
LogP4.50
Rot. Bonds2

About 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 11710187) has the molecular formula C22H31FN2O and a molecular weight of 358.50 g/mol. Its IUPAC name is 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID11710187
Molecular FormulaC22H31FN2O
Molecular Weight358.50 g/mol
Exact Mass358.24
IUPAC Name1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C22H31FN2O/c1-24-20-10-9-18(23)15-19(20)22(21(24)26)11-13-25(14-12-22)16-17-7-5-3-2-4-6-8-17/h9-10,15,17H,2-8,11-14,16H2,1H3
InChIKeyNRNLUSZSMWQZFV-UHFFFAOYSA-N
XLogP4.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 11710187) is 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is NRNLUSZSMWQZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN2O/c1-24-20-10-9-18(23)15-19(20)22(21(24)26)11-13-25(14-12-22)16-17-7-5-3-2-4-6-8-17/h9-10,15,17H,2-8,11-14,16H2,1H3.
What are the key properties of 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 358.50 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclooctylmethyl)-5-fluoro-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 11710187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).