N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide

C22H26N4O3S — CID 50844803

About N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide

N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 50844803) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide
• PubChem CID: 50844803
• Molecular Formula: C22H26N4O3S
• Molecular Weight: 426.54 g/mol
• Exact Mass: 426.17
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide
• SMILES: COc1ccc(CNC(=O)CCn2c(N3CCCCC3)nc3ccsc3c2=O)cc1
• InChI: InChI=1S/C22H26N4O3S/c1-29-17-7-5-16(6-8-17)15-23-19(27)9-13-26-21(28)20-18(10-14-30-20)24-22(26)25-11-3-2-4-12-25/h5-8,10,14H,2-4,9,11-13,15H2,1H3,(H,23,27)
• InChIKey: NQGNSGNOCLHIOE-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.54
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide?

The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide (CID 50844803) is N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide.

What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide?

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide is COc1ccc(CNC(=O)CCn2c(N3CCCCC3)nc3ccsc3c2=O)cc1.

What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide?

The InChIKey is NQGNSGNOCLHIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-29-17-7-5-16(6-8-17)15-23-19(27)9-13-26-21(28)20-18(10-14-30-20)24-22(26)25-11-3-2-4-12-25/h5-8,10,14H,2-4,9,11-13,15H2,1H3,(H,23,27).

What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide?

N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 426.54 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-3-(4-oxo-2-piperidin-1-ylthieno[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 50844803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).