3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

C19H19N3O2S — CID 30849722

IUPAC3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)N1CCCCC1
InChIInChI=1S/C19H19N3O2S/c23-16(21-9-5-2-6-10-21)11-22-13-20-17-15(12-25-18(17)19(22)24)14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-11H2
InChIKeyWCEMAEUKUVHPDC-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.14
Rot. Bonds3

About 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one

3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 30849722) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID30849722
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)N1CCCCC1
InChIInChI=1S/C19H19N3O2S/c23-16(21-9-5-2-6-10-21)11-22-13-20-17-15(12-25-18(17)19(22)24)14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-11H2
InChIKeyWCEMAEUKUVHPDC-UHFFFAOYSA-N
XLogP3.14
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 30849722) is 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is O=C(Cn1cnc2c(-c3ccccc3)csc2c1=O)N1CCCCC1.
What is the InChIKey of 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is WCEMAEUKUVHPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-16(21-9-5-2-6-10-21)11-22-13-20-17-15(12-25-18(17)19(22)24)14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-11H2.
What are the key properties of 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one?
3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 353.45 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-2-piperidin-1-ylethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 30849722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).