N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide

C48H65FN8O5 — CID 155056825

About N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide

N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide (PubChem CID 155056825) has the molecular formula C48H65FN8O5 and a molecular weight of 853.10 g/mol. Its IUPAC name is N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide
• PubChem CID: 155056825
• Molecular Formula: C48H65FN8O5
• Molecular Weight: 853.10 g/mol
• Exact Mass: 852.51
• IUPAC Name: N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide
• SMILES: C/C=C(/F)C(CN1CC(Cc2ccc(N3CCN(CCCCNC(=O)C4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)C(N(C)C)C1)=C(C)C
• InChI: InChI=1S/C48H65FN8O5/c1-6-39(49)38(32(2)3)30-54-29-35(42(31-54)52(4)5)28-33-12-14-36(15-13-33)55-26-24-53(25-27-55)21-8-7-20-50-45(59)34-18-22-56(23-19-34)40-11-9-10-37-44(40)48(62)57(47(37)61)41-16-17-43(58)51-46(41)60/h6,9-15,34-35,41-42H,7-8,16-31H2,1-5H3,(H,50,59)(H,51,58,60)/b39-6+
• InChIKey: JYDQHVBLAGYVBV-HOWXECNASA-N
• XLogP: 4.64
• TPSA: 128.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	853.10
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?

The IUPAC name of N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide (CID 155056825) is N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide is C/C=C(/F)C(CN1CC(Cc2ccc(N3CCN(CCCCNC(=O)C4CCN(c5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)C(N(C)C)C1)=C(C)C.

What is the InChIKey of N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?

The InChIKey is JYDQHVBLAGYVBV-HOWXECNASA-N. The full InChI is InChI=1S/C48H65FN8O5/c1-6-39(49)38(32(2)3)30-54-29-35(42(31-54)52(4)5)28-33-12-14-36(15-13-33)55-26-24-53(25-27-55)21-8-7-20-50-45(59)34-18-22-56(23-19-34)40-11-9-10-37-44(40)48(62)57(47(37)61)41-16-17-43(58)51-46(41)60/h6,9-15,34-35,41-42H,7-8,16-31H2,1-5H3,(H,50,59)(H,51,58,60)/b39-6+.

What are the key properties of N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?

N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide has a molecular weight of 853.10 g/mol, XLogP of 4.64, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[4-[[4-(dimethylamino)-1-[(E)-3-fluoro-2-propan-2-ylidenepent-3-enyl]pyrrolidin-3-yl]methyl]phenyl]piperazin-1-yl]butyl]-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 155056825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).