methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

C23H25N3O5S — CID 110846188

About methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 110846188) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 110846188
• Molecular Formula: C23H25N3O5S
• Molecular Weight: 455.54 g/mol
• Exact Mass: 455.15
• IUPAC Name: methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: COC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C23H25N3O5S/c1-31-22(27)19-20(16-10-4-2-5-11-16)24-23(28)25-21(19)17-12-6-7-13-18(17)32(29,30)26-14-8-3-9-15-26/h2,4-7,10-13,21H,3,8-9,14-15H2,1H3,(H2,24,25,28)
• InChIKey: URVZMNPWBBNJAI-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 104.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.54
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 110846188) is methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is COC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1S(=O)(=O)N1CCCCC1.

What is the InChIKey of methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is URVZMNPWBBNJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-31-22(27)19-20(16-10-4-2-5-11-16)24-23(28)25-21(19)17-12-6-7-13-18(17)32(29,30)26-14-8-3-9-15-26/h2,4-7,10-13,21H,3,8-9,14-15H2,1H3,(H2,24,25,28).

What are the key properties of methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate?

methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 455.54 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-oxo-6-phenyl-4-(2-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 110846188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).