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

C41H43ClN8O6 — CID 163840403

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

trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide (PubChem CID 163840403) has the molecular formula C41H43ClN8O6 and a molecular weight of 779.30 g/mol. Its IUPAC name is trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide
• PubChem CID: 163840403
• Molecular Formula: C41H43ClN8O6
• Molecular Weight: 779.30 g/mol
• Exact Mass: 778.30
• IUPAC Name: trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide
• SMILES: N#Cc1ccc(O[C@@H]2CC[C@@H](C(=O)Nc3ccc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)C2)cc1Cl
• InChI: InChI=1S/C41H43ClN8O6/c42-34-21-31(6-2-27(34)22-43)56-30-5-1-26(19-30)38(52)45-36-9-4-29(23-44-36)48-13-11-25(12-14-48)24-47-15-17-49(18-16-47)28-3-7-32-33(20-28)41(55)50(40(32)54)35-8-10-37(51)46-39(35)53/h2-4,6-7,9,20-21,23,25-26,30,35H,1,5,8,10-19,24H2,(H,44,45,52)(H,46,51,53)/t26-,30-,35?/m1/s1
• InChIKey: OLMFZASXNUUKDB-WAWPNIJLSA-N
• XLogP: 4.23
• TPSA: 168.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.30
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
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 trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide?

The IUPAC name of trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide (CID 163840403) is trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide.

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

The canonical SMILES for trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide is N#Cc1ccc(O[C@@H]2CC[C@@H](C(=O)Nc3ccc(N4CCC(CN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)cn3)C2)cc1Cl.

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

The InChIKey is OLMFZASXNUUKDB-WAWPNIJLSA-N. The full InChI is InChI=1S/C41H43ClN8O6/c42-34-21-31(6-2-27(34)22-43)56-30-5-1-26(19-30)38(52)45-36-9-4-29(23-44-36)48-13-11-25(12-14-48)24-47-15-17-49(18-16-47)28-3-7-32-33(20-28)41(55)50(40(32)54)35-8-10-37(51)46-39(35)53/h2-4,6-7,9,20-21,23,25-26,30,35H,1,5,8,10-19,24H2,(H,44,45,52)(H,46,51,53)/t26-,30-,35?/m1/s1.

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

trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide has a molecular weight of 779.30 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,3R)-3-(3-chloro-4-cyanophenoxy)-N-[5-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 163840403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).