(2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate

C65H91N13O18S2 — CID 157102074

About (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate

(2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate (PubChem CID 157102074) has the molecular formula C65H91N13O18S2 and a molecular weight of 1406.65 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate.

Molecular Properties

• Compound Name: (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate
• PubChem CID: 157102074
• Molecular Formula: C65H91N13O18S2
• Molecular Weight: 1406.65 g/mol
• Exact Mass: 1405.60
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate
• SMILES: CC1CCCC(C)N1CC(=O)NCCC(=O)N1CCN(CCC(=O)ON2C(=O)CCC2=O)CC1.O=C(CCCC(=O)CSc1ncccn1)CCCC(=O)ON1C(=O)CCC1=O.O=C(CCCC(=O)CSc1ncccn1)CCCN1CCN(CCC(=O)ON2C(=O)CCC2=O)CC1
• InChI: InChI=1S/C24H33N5O6S.C23H37N5O6.C18H21N3O6S/c30-19(4-1-5-20(31)18-36-24-25-10-3-11-26-24)6-2-12-27-14-16-28(17-15-27)13-9-23(34)35-29-21(32)7-8-22(29)33;1-17-4-3-5-18(2)27(17)16-19(29)24-10-8-20(30)26-14-12-25(13-15-26)11-9-23(33)34-28-21(31)6-7-22(28)32;22-13(4-1-6-14(23)12-28-18-19-10-3-11-20-18)5-2-7-17(26)27-21-15(24)8-9-16(21)25/h3,10-11H,1-2,4-9,12-18H2;17-18H,3-16H2,1-2H3,(H,24,29);3,10-11H,1-2,4-9,12H2
• InChIKey: AFWNLVXTMDOHIY-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 373.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1406.65
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate?

The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate (CID 157102074) is (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate.

What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate?

The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate is CC1CCCC(C)N1CC(=O)NCCC(=O)N1CCN(CCC(=O)ON2C(=O)CCC2=O)CC1.O=C(CCCC(=O)CSc1ncccn1)CCCC(=O)ON1C(=O)CCC1=O.O=C(CCCC(=O)CSc1ncccn1)CCCN1CCN(CCC(=O)ON2C(=O)CCC2=O)CC1.

What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate?

The InChIKey is AFWNLVXTMDOHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O6S.C23H37N5O6.C18H21N3O6S/c30-19(4-1-5-20(31)18-36-24-25-10-3-11-26-24)6-2-12-27-14-16-28(17-15-27)13-9-23(34)35-29-21(32)7-8-22(29)33;1-17-4-3-5-18(2)27(17)16-19(29)24-10-8-20(30)26-14-12-25(13-15-26)11-9-23(33)34-28-21(31)6-7-22(28)32;22-13(4-1-6-14(23)12-28-18-19-10-3-11-20-18)5-2-7-17(26)27-21-15(24)8-9-16(21)25/h3,10-11H,1-2,4-9,12-18H2;17-18H,3-16H2,1-2H3,(H,24,29);3,10-11H,1-2,4-9,12H2.

What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate?

(2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate has a molecular weight of 1406.65 g/mol, XLogP of 2.82, 36 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dioxopyrrolidin-1-yl) 3-[4-[3-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]propanoyl]piperazin-1-yl]propanoate;(2,5-dioxopyrrolidin-1-yl) 5,9-dioxo-10-pyrimidin-2-ylsulfanyldecanoate;(2,5-dioxopyrrolidin-1-yl) 3-[4-(4,8-dioxo-9-pyrimidin-2-ylsulfanylnonyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 157102074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).