(3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide

C41H45ClN10O5 — CID 156663210

About (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide

(3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide (PubChem CID 156663210) has the molecular formula C41H45ClN10O5 and a molecular weight of 793.33 g/mol. Its IUPAC name is (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide
• PubChem CID: 156663210
• Molecular Formula: C41H45ClN10O5
• Molecular Weight: 793.33 g/mol
• Exact Mass: 792.33
• IUPAC Name: (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide
• SMILES: [C-]#[N+]c1ccc(N2CCN(C(=O)Nc3ccc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)C[C@H]2C)cc1Cl
• InChI: InChI=1S/C41H45ClN10O5/c1-26-24-50(19-20-51(26)30-5-7-34(43-2)33(42)22-30)41(57)45-28-3-9-36(44-23-28)49-13-11-27(12-14-49)25-47-15-17-48(18-16-47)29-4-6-31-32(21-29)40(56)52(39(31)55)35-8-10-37(53)46-38(35)54/h3-7,9,21-23,26-27,35H,8,10-20,24-25H2,1H3,(H,45,57)(H,46,53,54)/t26-,35?/m1/s1
• InChIKey: RDPLNGXHBYSDJC-NAVQMUAQSA-N
• XLogP: 4.47
• TPSA: 146.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	793.33
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide?

The IUPAC name of (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide (CID 156663210) is (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide.

What is the SMILES notation for (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide?

The canonical SMILES for (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide is [C-]#[N+]c1ccc(N2CCN(C(=O)Nc3ccc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)nc3)C[C@H]2C)cc1Cl.

What is the InChIKey of (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide?

The InChIKey is RDPLNGXHBYSDJC-NAVQMUAQSA-N. The full InChI is InChI=1S/C41H45ClN10O5/c1-26-24-50(19-20-51(26)30-5-7-34(43-2)33(42)22-30)41(57)45-28-3-9-36(44-23-28)49-13-11-27(12-14-49)25-47-15-17-48(18-16-47)29-4-6-31-32(21-29)40(56)52(39(31)55)35-8-10-37(53)46-38(35)54/h3-7,9,21-23,26-27,35H,8,10-20,24-25H2,1H3,(H,45,57)(H,46,53,54)/t26-,35?/m1/s1.

What are the key properties of (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide?

(3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide has a molecular weight of 793.33 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-4-(3-chloro-4-isocyanophenyl)-N-[6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-3-pyridinyl]-3-methylpiperazine-1-carboxamide is sourced from PubChem (CID 156663210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).