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

C18H22N4O6S — CID 40774571

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

(3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 40774571) has the molecular formula C18H22N4O6S and a molecular weight of 422.46 g/mol. Its IUPAC name is (3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
• PubChem CID: 40774571
• Molecular Formula: C18H22N4O6S
• Molecular Weight: 422.46 g/mol
• Exact Mass: 422.13
• IUPAC Name: (3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
• SMILES: COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)cc1
• InChI: InChI=1S/C18H22N4O6S/c1-11-15(17(24)21-18(25)19-11)29(26,27)22-9-3-4-12(10-22)16(23)20-13-5-7-14(28-2)8-6-13/h5-8,12H,3-4,9-10H2,1-2H3,(H,20,23)(H2,19,21,24,25)/t12-/m1/s1
• InChIKey: RKUKEKHBZNIKRG-GFCCVEGCSA-N
• XLogP: 0.42
• TPSA: 141.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.46
LogP ≤ 5	0.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (CID 40774571) is (3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)cc1.

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

The InChIKey is RKUKEKHBZNIKRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N4O6S/c1-11-15(17(24)21-18(25)19-11)29(26,27)22-9-3-4-12(10-22)16(23)20-13-5-7-14(28-2)8-6-13/h5-8,12H,3-4,9-10H2,1-2H3,(H,20,23)(H2,19,21,24,25)/t12-/m1/s1.

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

(3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 40774571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).