2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one

C25H36N2O2 — CID 134079346

IUPAC2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC2(CC1)CC(CC(=O)N1CCCC1)c1ccccc12
InChIInChI=1S/C25H36N2O2/c1-3-19(4-2)24(29)27-15-11-25(12-16-27)18-20(21-9-5-6-10-22(21)25)17-23(28)26-13-7-8-14-26/h5-6,9-10,19-20H,3-4,7-8,11-18H2,1-2H3
InChIKeyDTVXPQBIHMAPHS-UHFFFAOYSA-N
MW396.58 g/mol
LogP4.48
Rot. Bonds5

About 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one

2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one (PubChem CID 134079346) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
PubChem CID134079346
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCC2(CC1)CC(CC(=O)N1CCCC1)c1ccccc12
InChIInChI=1S/C25H36N2O2/c1-3-19(4-2)24(29)27-15-11-25(12-16-27)18-20(21-9-5-6-10-22(21)25)17-23(28)26-13-7-8-14-26/h5-6,9-10,19-20H,3-4,7-8,11-18H2,1-2H3
InChIKeyDTVXPQBIHMAPHS-UHFFFAOYSA-N
XLogP4.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one (CID 134079346) is 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one is CCC(CC)C(=O)N1CCC2(CC1)CC(CC(=O)N1CCCC1)c1ccccc12.
What is the InChIKey of 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one?
The InChIKey is DTVXPQBIHMAPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-3-19(4-2)24(29)27-15-11-25(12-16-27)18-20(21-9-5-6-10-22(21)25)17-23(28)26-13-7-8-14-26/h5-6,9-10,19-20H,3-4,7-8,11-18H2,1-2H3.
What are the key properties of 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one?
2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one has a molecular weight of 396.58 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]butan-1-one is sourced from PubChem (CID 134079346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).