1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C26H35N5O4 — CID 27833260

About 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 27833260) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
• PubChem CID: 27833260
• Molecular Formula: C26H35N5O4
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.27
• IUPAC Name: 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
• SMILES: NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1
• InChI: InChI=1S/C26H35N5O4/c27-25(35)26(29-12-2-1-3-13-29)10-15-28(16-11-26)21-17-23(33)31(24(21)34)18-19-6-8-20(9-7-19)30-14-4-5-22(30)32/h6-9,21H,1-5,10-18H2,(H2,27,35)/t21-/m1/s1
• InChIKey: OORDBVWRXUSFBP-OAQYLSRUSA-N
• XLogP: 1.25
• TPSA: 107.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	1.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?

The IUPAC name of 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 27833260) is 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

What is the SMILES notation for 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?

The canonical SMILES for 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN([C@@H]2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1.

What is the InChIKey of 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?

The InChIKey is OORDBVWRXUSFBP-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H35N5O4/c27-25(35)26(29-12-2-1-3-13-29)10-15-28(16-11-26)21-17-23(33)31(24(21)34)18-19-6-8-20(9-7-19)30-14-4-5-22(30)32/h6-9,21H,1-5,10-18H2,(H2,27,35)/t21-/m1/s1.

What are the key properties of 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?

1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-2,5-dioxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 27833260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).