2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one

C21H25NO2 — CID 10381541

IUPAC2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CC(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H25NO2/c23-19-8-4-2-6-17(19)15-20(24)22-13-11-21(12-14-22)10-9-16-5-1-3-7-18(16)21/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2
InChIKeyYOQYDNBBKQQINO-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.72
Rot. Bonds2

About 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one

2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one (PubChem CID 10381541) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one
PubChem CID10381541
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one
SMILESO=C1CCCCC1CC(=O)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H25NO2/c23-19-8-4-2-6-17(19)15-20(24)22-13-11-21(12-14-22)10-9-16-5-1-3-7-18(16)21/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2
InChIKeyYOQYDNBBKQQINO-UHFFFAOYSA-N
XLogP3.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one?
The IUPAC name of 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one (CID 10381541) is 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one.
What is the SMILES notation for 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one?
The canonical SMILES for 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one is O=C1CCCCC1CC(=O)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one?
The InChIKey is YOQYDNBBKQQINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-19-8-4-2-6-17(19)15-20(24)22-13-11-21(12-14-22)10-9-16-5-1-3-7-18(16)21/h1,3,5,7,9-10,17H,2,4,6,8,11-15H2.
What are the key properties of 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one?
2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one has a molecular weight of 323.44 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-spiro[indene-1,4'-piperidine]-1'-ylethyl)cyclohexan-1-one is sourced from PubChem (CID 10381541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).