1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one

C24H28N2O3S — CID 170508089

IUPAC1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C24H28N2O3S/c27-21-7-4-12-25(21)13-8-22(28)26-14-10-24(11-15-26)23-19(9-16-29-24)17-20(30-23)18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2
InChIKeyXFOSODDORPJEAN-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.82
Rot. Bonds4

About 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one

1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one (PubChem CID 170508089) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one
PubChem CID170508089
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C24H28N2O3S/c27-21-7-4-12-25(21)13-8-22(28)26-14-10-24(11-15-26)23-19(9-16-29-24)17-20(30-23)18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2
InChIKeyXFOSODDORPJEAN-UHFFFAOYSA-N
XLogP3.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-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 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one (CID 170508089) is 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one is O=C1CCCN1CCC(=O)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12.
What is the InChIKey of 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one?
The InChIKey is XFOSODDORPJEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c27-21-7-4-12-25(21)13-8-22(28)26-14-10-24(11-15-26)23-19(9-16-29-24)17-20(30-23)18-5-2-1-3-6-18/h1-3,5-6,17H,4,7-16H2.
What are the key properties of 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one?
1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one has a molecular weight of 424.57 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 170508089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).