3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide

C41H71N11O4 — CID 162453436

About 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide

3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide (PubChem CID 162453436) has the molecular formula C41H71N11O4 and a molecular weight of 782.09 g/mol. Its IUPAC name is 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide
• PubChem CID: 162453436
• Molecular Formula: C41H71N11O4
• Molecular Weight: 782.09 g/mol
• Exact Mass: 781.57
• IUPAC Name: 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide
• SMILES: CN1CCN([C@@H]2CCCN(C3CNC(C(N)=O)C(NC4CCC(C5CCN(CC6CCN(C7CCC([C@@H]8CCC(=O)NC8=O)CN7)CC6)CC5)CC4)N3)C2)C1=O
• InChI: InChI=1S/C41H71N11O4/c1-48-21-22-52(41(48)56)32-3-2-16-51(26-32)35-24-44-37(38(42)54)39(46-35)45-31-7-4-28(5-8-31)29-14-17-49(18-15-29)25-27-12-19-50(20-13-27)34-10-6-30(23-43-34)33-9-11-36(53)47-40(33)55/h27-35,37,39,43-46H,2-26H2,1H3,(H2,42,54)(H,47,53,55)/t28?,30?,31?,32-,33+,34?,35?,37?,39?/m1/s1
• InChIKey: CNWLAQRTOAYTGH-SLFIBREISA-N
• XLogP: 0.47
• TPSA: 170.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.09
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide?

The IUPAC name of 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide (CID 162453436) is 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide.

What is the SMILES notation for 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide?

The canonical SMILES for 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide is CN1CCN([C@@H]2CCCN(C3CNC(C(N)=O)C(NC4CCC(C5CCN(CC6CCN(C7CCC([C@@H]8CCC(=O)NC8=O)CN7)CC6)CC5)CC4)N3)C2)C1=O.

What is the InChIKey of 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide?

The InChIKey is CNWLAQRTOAYTGH-SLFIBREISA-N. The full InChI is InChI=1S/C41H71N11O4/c1-48-21-22-52(41(48)56)32-3-2-16-51(26-32)35-24-44-37(38(42)54)39(46-35)45-31-7-4-28(5-8-31)29-14-17-49(18-15-29)25-27-12-19-50(20-13-27)34-10-6-30(23-43-34)33-9-11-36(53)47-40(33)55/h27-35,37,39,43-46H,2-26H2,1H3,(H2,42,54)(H,47,53,55)/t28?,30?,31?,32-,33+,34?,35?,37?,39?/m1/s1.

What are the key properties of 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide?

3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide has a molecular weight of 782.09 g/mol, XLogP of 0.47, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[1-[[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]piperidin-2-yl]piperidin-4-yl]methyl]piperidin-4-yl]cyclohexyl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]piperazine-2-carboxamide is sourced from PubChem (CID 162453436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).