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

C23H32N2O2 — CID 134079343

IUPAC2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)CC(CC(=O)N1CCCC1)c1ccccc12
InChIInChI=1S/C23H32N2O2/c1-17(2)22(27)25-13-9-23(10-14-25)16-18(19-7-3-4-8-20(19)23)15-21(26)24-11-5-6-12-24/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
InChIKeyKEESVKQBQNKVAE-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.70
Rot. Bonds3

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

2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one (PubChem CID 134079343) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
PubChem CID134079343
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC2(CC1)CC(CC(=O)N1CCCC1)c1ccccc12
InChIInChI=1S/C23H32N2O2/c1-17(2)22(27)25-13-9-23(10-14-25)16-18(19-7-3-4-8-20(19)23)15-21(26)24-11-5-6-12-24/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
InChIKeyKEESVKQBQNKVAE-UHFFFAOYSA-N
XLogP3.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one (CID 134079343) is 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one is CC(C)C(=O)N1CCC2(CC1)CC(CC(=O)N1CCCC1)c1ccccc12.
What is the InChIKey of 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one?
The InChIKey is KEESVKQBQNKVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-17(2)22(27)25-13-9-23(10-14-25)16-18(19-7-3-4-8-20(19)23)15-21(26)24-11-5-6-12-24/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one?
2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one has a molecular weight of 368.52 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-oxo-2-pyrrolidin-1-ylethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]propan-1-one is sourced from PubChem (CID 134079343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).