3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid

C63H88N14O11 — CID 162041296

About 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid

3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid (PubChem CID 162041296) has the molecular formula C63H88N14O11 and a molecular weight of 1217.48 g/mol. Its IUPAC name is 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid
• PubChem CID: 162041296
• Molecular Formula: C63H88N14O11
• Molecular Weight: 1217.48 g/mol
• Exact Mass: 1216.68
• IUPAC Name: 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid
• SMILES: C.CC(C)(C)OC(=O)c1ccc(N2CCC(CN3CCN(c4ccc(C(=O)NC5CCC(=O)NC5=O)nc4)CC3)CC2)nc1.CC(C)(C)OC(=O)c1ccc(N2CCC(CN3CCN(c4ccc(C(=O)O)nc4)CC3)CC2)nc1.NC1CCC(=O)NC1=O
• InChI: InChI=1S/C31H41N7O5.C26H35N5O4.C5H8N2O2.CH4/c1-31(2,3)43-30(42)22-4-8-26(33-18-22)38-12-10-21(11-13-38)20-36-14-16-37(17-15-36)23-5-6-24(32-19-23)28(40)34-25-7-9-27(39)35-29(25)41;1-26(2,3)35-25(34)20-4-7-23(28-16-20)31-10-8-19(9-11-31)18-29-12-14-30(15-13-29)21-5-6-22(24(32)33)27-17-21;6-3-1-2-4(8)7-5(3)9;/h4-6,8,18-19,21,25H,7,9-17,20H2,1-3H3,(H,34,40)(H,35,39,41);4-7,16-17,19H,8-15,18H2,1-3H3,(H,32,33);3H,1-2,6H2,(H,7,8,9);1H4
• InChIKey: YXHSQNMYVVHOKE-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 308.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1217.48
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid?

The IUPAC name of 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid (CID 162041296) is 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid?

The canonical SMILES for 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid is C.CC(C)(C)OC(=O)c1ccc(N2CCC(CN3CCN(c4ccc(C(=O)NC5CCC(=O)NC5=O)nc4)CC3)CC2)nc1.CC(C)(C)OC(=O)c1ccc(N2CCC(CN3CCN(c4ccc(C(=O)O)nc4)CC3)CC2)nc1.NC1CCC(=O)NC1=O.

What is the InChIKey of 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid?

The InChIKey is YXHSQNMYVVHOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N7O5.C26H35N5O4.C5H8N2O2.CH4/c1-31(2,3)43-30(42)22-4-8-26(33-18-22)38-12-10-21(11-13-38)20-36-14-16-37(17-15-36)23-5-6-24(32-19-23)28(40)34-25-7-9-27(39)35-29(25)41;1-26(2,3)35-25(34)20-4-7-23(28-16-20)31-10-8-19(9-11-31)18-29-12-14-30(15-13-29)21-5-6-22(24(32)33)27-17-21;6-3-1-2-4(8)7-5(3)9;/h4-6,8,18-19,21,25H,7,9-17,20H2,1-3H3,(H,34,40)(H,35,39,41);4-7,16-17,19H,8-15,18H2,1-3H3,(H,32,33);3H,1-2,6H2,(H,7,8,9);1H4.

What are the key properties of 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid?

3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 1217.48 g/mol, XLogP of 4.56, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-aminopiperidine-2,6-dione;tert-butyl 6-[4-[[4-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]-3-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridine-3-carboxylate;methane;5-[4-[[1-[5-[(2-methylpropan-2-yl)oxycarbonyl]-2-pyridinyl]piperidin-4-yl]methyl]piperazin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 162041296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).