N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde

C80H90N18O17S2 — CID 164996264

About N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde

N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde (PubChem CID 164996264) has the molecular formula C80H90N18O17S2 and a molecular weight of 1639.84 g/mol. Its IUPAC name is N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde.

Molecular Properties

• Compound Name: N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde
• PubChem CID: 164996264
• Molecular Formula: C80H90N18O17S2
• Molecular Weight: 1639.84 g/mol
• Exact Mass: 1638.62
• IUPAC Name: N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde
• SMILES: CS(=O)(=O)c1ccc(Cc2nc(N3CCCC(NC(=O)N4CCC5(CC4)CN(Cc4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Cc2nc(N3CCCC(NC(=O)N4CCC5(CC4)CNC5)C3)cnc2C(N)=O)cc1.O=Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C40H45N9O8S.C26H35N7O4S.C14H10N2O5/c1-58(56,57)27-7-4-24(5-8-27)18-30-34(35(41)51)42-19-32(44-30)48-14-2-3-26(21-48)43-39(55)47-15-12-40(13-16-47)22-46(23-40)20-25-6-9-28-29(17-25)38(54)49(37(28)53)31-10-11-33(50)45-36(31)52;1-38(36,37)20-6-4-18(5-7-20)13-21-23(24(27)34)29-14-22(31-21)33-10-2-3-19(15-33)30-25(35)32-11-8-26(9-12-32)16-28-17-26;17-6-7-1-2-8-9(5-7)14(21)16(13(8)20)10-3-4-11(18)15-12(10)19/h4-9,17,19,26,31H,2-3,10-16,18,20-23H2,1H3,(H2,41,51)(H,43,55)(H,45,50,52);4-7,14,19,28H,2-3,8-13,15-17H2,1H3,(H2,27,34)(H,30,35);1-2,5-6,10H,3-4H2,(H,15,18,19)
• InChIKey: HPGQVSLKNBWZPR-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 476.62 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1639.84
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde?

The IUPAC name of N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde (CID 164996264) is N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde.

What is the SMILES notation for N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde?

The canonical SMILES for N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde is CS(=O)(=O)c1ccc(Cc2nc(N3CCCC(NC(=O)N4CCC5(CC4)CN(Cc4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)C5)C3)cnc2C(N)=O)cc1.CS(=O)(=O)c1ccc(Cc2nc(N3CCCC(NC(=O)N4CCC5(CC4)CNC5)C3)cnc2C(N)=O)cc1.O=Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde?

The InChIKey is HPGQVSLKNBWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45N9O8S.C26H35N7O4S.C14H10N2O5/c1-58(56,57)27-7-4-24(5-8-27)18-30-34(35(41)51)42-19-32(44-30)48-14-2-3-26(21-48)43-39(55)47-15-12-40(13-16-47)22-46(23-40)20-25-6-9-28-29(17-25)38(54)49(37(28)53)31-10-11-33(50)45-36(31)52;1-38(36,37)20-6-4-18(5-7-20)13-21-23(24(27)34)29-14-22(31-21)33-10-2-3-19(15-33)30-25(35)32-11-8-26(9-12-32)16-28-17-26;17-6-7-1-2-8-9(5-7)14(21)16(13(8)20)10-3-4-11(18)15-12(10)19/h4-9,17,19,26,31H,2-3,10-16,18,20-23H2,1H3,(H2,41,51)(H,43,55)(H,45,50,52);4-7,14,19,28H,2-3,8-13,15-17H2,1H3,(H2,27,34)(H,30,35);1-2,5-6,10H,3-4H2,(H,15,18,19).

What are the key properties of N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde?

N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde has a molecular weight of 1639.84 g/mol, XLogP of 2.08, 17 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;N-[1-[5-carbamoyl-6-[(4-methylsulfonylphenyl)methyl]pyrazin-2-yl]piperidin-3-yl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-5-carbaldehyde is sourced from PubChem (CID 164996264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).