5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one

C21H26N2O2 — CID 45214344

IUPAC5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one
SMILESCC1(CCC(=O)N2CCC3(C=Cc4ccccc43)CC2)CCC(=O)N1
InChIInChI=1S/C21H26N2O2/c1-20(9-7-18(24)22-20)10-8-19(25)23-14-12-21(13-15-23)11-6-16-4-2-3-5-17(16)21/h2-6,11H,7-10,12-15H2,1H3,(H,22,24)
InChIKeyNIGBAGTWDIYXTE-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.02
Rot. Bonds3

About 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one

5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one (PubChem CID 45214344) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one
PubChem CID45214344
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one
SMILESCC1(CCC(=O)N2CCC3(C=Cc4ccccc43)CC2)CCC(=O)N1
InChIInChI=1S/C21H26N2O2/c1-20(9-7-18(24)22-20)10-8-19(25)23-14-12-21(13-15-23)11-6-16-4-2-3-5-17(16)21/h2-6,11H,7-10,12-15H2,1H3,(H,22,24)
InChIKeyNIGBAGTWDIYXTE-UHFFFAOYSA-N
XLogP3.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one (CID 45214344) is 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one is CC1(CCC(=O)N2CCC3(C=Cc4ccccc43)CC2)CCC(=O)N1.
What is the InChIKey of 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one?
The InChIKey is NIGBAGTWDIYXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-20(9-7-18(24)22-20)10-8-19(25)23-14-12-21(13-15-23)11-6-16-4-2-3-5-17(16)21/h2-6,11H,7-10,12-15H2,1H3,(H,22,24).
What are the key properties of 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one?
5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-oxo-3-spiro[indene-1,4'-piperidine]-1'-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 45214344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).