1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide

C19H24N4O5S — CID 3245157

About 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 3245157) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide
• PubChem CID: 3245157
• Molecular Formula: C19H24N4O5S
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.15
• IUPAC Name: 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide
• SMILES: Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
• InChI: InChI=1S/C19H24N4O5S/c1-13-16(18(25)22-19(26)21-13)29(27,28)23-11-5-8-15(12-23)17(24)20-10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,20,24)(H2,21,22,25,26)
• InChIKey: SWQWZMWRZZXODZ-UHFFFAOYSA-N
• XLogP: 0.13
• TPSA: 132.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide?

The IUPAC name of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 3245157) is 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide?

The canonical SMILES for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1.

What is the InChIKey of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide?

The InChIKey is SWQWZMWRZZXODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-13-16(18(25)22-19(26)21-13)29(27,28)23-11-5-8-15(12-23)17(24)20-10-9-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3,(H,20,24)(H2,21,22,25,26).

What are the key properties of 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide?

1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 3245157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).