1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid

C24H32N4O5 — CID 168882341

About 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid

1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 168882341) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
• PubChem CID: 168882341
• Molecular Formula: C24H32N4O5
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.24
• IUPAC Name: 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
• SMILES: Cc1cc(C2CCC(=O)NC2=O)cnc1N1CCC(C(=O)N2CCC(C)(C(=O)O)CC2)CC1
• InChI: InChI=1S/C24H32N4O5/c1-15-13-17(18-3-4-19(29)26-21(18)30)14-25-20(15)27-9-5-16(6-10-27)22(31)28-11-7-24(2,8-12-28)23(32)33/h13-14,16,18H,3-12H2,1-2H3,(H,32,33)(H,26,29,30)
• InChIKey: QSRSTEJQZADCEK-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 119.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.54
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	2
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-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid?

The IUPAC name of 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid (CID 168882341) is 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid.

What is the SMILES notation for 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid?

The canonical SMILES for 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid is Cc1cc(C2CCC(=O)NC2=O)cnc1N1CCC(C(=O)N2CCC(C)(C(=O)O)CC2)CC1.

What is the InChIKey of 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid?

The InChIKey is QSRSTEJQZADCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-15-13-17(18-3-4-19(29)26-21(18)30)14-25-20(15)27-9-5-16(6-10-27)22(31)28-11-7-24(2,8-12-28)23(32)33/h13-14,16,18H,3-12H2,1-2H3,(H,32,33)(H,26,29,30).

What are the key properties of 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid?

1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 456.54 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[5-(2,6-dioxopiperidin-3-yl)-3-methyl-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 168882341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).