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

C24H28N2O3S — CID 170507477

IUPAC1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C24H28N2O3S/c27-21-8-4-5-12-26(21)17-22(28)25-13-10-24(11-14-25)23-19(9-15-29-24)16-20(30-23)18-6-2-1-3-7-18/h1-3,6-7,16H,4-5,8-15,17H2
InChIKeyQDGPFWUTZINNCG-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.82
Rot. Bonds3

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

1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one (PubChem CID 170507477) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one
PubChem CID170507477
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12
InChIInChI=1S/C24H28N2O3S/c27-21-8-4-5-12-26(21)17-22(28)25-13-10-24(11-14-25)23-19(9-15-29-24)16-20(30-23)18-6-2-1-3-7-18/h1-3,6-7,16H,4-5,8-15,17H2
InChIKeyQDGPFWUTZINNCG-UHFFFAOYSA-N
XLogP3.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one?
The IUPAC name of 1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one (CID 170507477) is 1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one is O=C(CN1CCCCC1=O)N1CCC2(CC1)OCCc1cc(-c3ccccc3)sc12.
What is the InChIKey of 1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one?
The InChIKey is QDGPFWUTZINNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c27-21-8-4-5-12-26(21)17-22(28)25-13-10-24(11-14-25)23-19(9-15-29-24)16-20(30-23)18-6-2-1-3-7-18/h1-3,6-7,16H,4-5,8-15,17H2.
What are the key properties of 1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one?
1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one has a molecular weight of 424.57 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-phenylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 170507477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).