3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one

C42H74N12O5 — CID 166478762

About 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one

3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one (PubChem CID 166478762) has the molecular formula C42H74N12O5 and a molecular weight of 827.13 g/mol. Its IUPAC name is 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one.

Molecular Properties

• Compound Name: 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one
• PubChem CID: 166478762
• Molecular Formula: C42H74N12O5
• Molecular Weight: 827.13 g/mol
• Exact Mass: 826.59
• IUPAC Name: 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one
• SMILES: CN1CCNC1=O.NC(=O)C1NCC(N2CCCCC2)NC1NC1CCC(C2CCN(CC3CCN(C4CCC(C(=O)NC5CCC(=O)NC5=O)NC4)CC3)CC2)CC1
• InChI: InChI=1S/C38H66N10O4.C4H8N2O/c39-35(50)34-36(44-32(23-41-34)48-16-2-1-3-17-48)42-28-6-4-26(5-7-28)27-14-18-46(19-15-27)24-25-12-20-47(21-13-25)29-8-9-30(40-22-29)37(51)43-31-10-11-33(49)45-38(31)52;1-6-3-2-5-4(6)7/h25-32,34,36,40-42,44H,1-24H2,(H2,39,50)(H,43,51)(H,45,49,52);2-3H2,1H3,(H,5,7)
• InChIKey: KXTYPQOMQWDTEW-UHFFFAOYSA-N
• XLogP: -0.57
• TPSA: 208.54 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	827.13
LogP ≤ 5	-0.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one?

The IUPAC name of 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one (CID 166478762) is 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one.

What is the SMILES notation for 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one?

The canonical SMILES for 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one is CN1CCNC1=O.NC(=O)C1NCC(N2CCCCC2)NC1NC1CCC(C2CCN(CC3CCN(C4CCC(C(=O)NC5CCC(=O)NC5=O)NC4)CC3)CC2)CC1.

What is the InChIKey of 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one?

The InChIKey is KXTYPQOMQWDTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H66N10O4.C4H8N2O/c39-35(50)34-36(44-32(23-41-34)48-16-2-1-3-17-48)42-28-6-4-26(5-7-28)27-14-18-46(19-15-27)24-25-12-20-47(21-13-25)29-8-9-30(40-22-29)37(51)43-31-10-11-33(49)45-38(31)52;1-6-3-2-5-4(6)7/h25-32,34,36,40-42,44H,1-24H2,(H2,39,50)(H,43,51)(H,45,49,52);2-3H2,1H3,(H,5,7).

What are the key properties of 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one?

3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one has a molecular weight of 827.13 g/mol, XLogP of -0.57, 10 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[1-[[1-[6-[(2,6-dioxopiperidin-3-yl)carbamoyl]piperidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-piperidin-1-ylpiperazine-2-carboxamide;1-methylimidazolidin-2-one is sourced from PubChem (CID 166478762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).