(2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

C51H62FN5O10 — CID 171833661

About (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide

(2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (PubChem CID 171833661) has the molecular formula C51H62FN5O10 and a molecular weight of 924.08 g/mol. Its IUPAC name is (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
• PubChem CID: 171833661
• Molecular Formula: C51H62FN5O10
• Molecular Weight: 924.08 g/mol
• Exact Mass: 923.45
• IUPAC Name: (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide
• SMILES: C[C@@H](C(=O)Nc1ccc(OC2CCN(C(=O)CCOCCOCCOCCNC(=O)COc3ccc(C4CCC(=O)NC4=O)cc3)CC2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1
• InChI: InChI=1S/C51H62FN5O10/c1-34(35-2-4-36(5-3-35)43-18-22-53-46-16-8-38(52)32-45(43)46)50(61)55-39-9-13-41(14-10-39)67-42-19-24-57(25-20-42)49(60)21-26-63-28-30-65-31-29-64-27-23-54-48(59)33-66-40-11-6-37(7-12-40)44-15-17-47(58)56-51(44)62/h6-14,16,18,22,32,34-36,42,44H,2-5,15,17,19-21,23-31,33H2,1H3,(H,54,59)(H,55,61)(H,56,58,62)/t34-,35?,36?,44?/m1/s1
• InChIKey: VIZRALYXBACHML-OYZNMHEMSA-N
• XLogP: 6.45
• TPSA: 183.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	924.08
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The IUPAC name of (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide (CID 171833661) is (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide.

What is the SMILES notation for (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The canonical SMILES for (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is C[C@@H](C(=O)Nc1ccc(OC2CCN(C(=O)CCOCCOCCOCCNC(=O)COc3ccc(C4CCC(=O)NC4=O)cc3)CC2)cc1)C1CCC(c2ccnc3ccc(F)cc23)CC1.

What is the InChIKey of (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

The InChIKey is VIZRALYXBACHML-OYZNMHEMSA-N. The full InChI is InChI=1S/C51H62FN5O10/c1-34(35-2-4-36(5-3-35)43-18-22-53-46-16-8-38(52)32-45(43)46)50(61)55-39-9-13-41(14-10-39)67-42-19-24-57(25-20-42)49(60)21-26-63-28-30-65-31-29-64-27-23-54-48(59)33-66-40-11-6-37(7-12-40)44-15-17-47(58)56-51(44)62/h6-14,16,18,22,32,34-36,42,44H,2-5,15,17,19-21,23-31,33H2,1H3,(H,54,59)(H,55,61)(H,56,58,62)/t34-,35?,36?,44?/m1/s1.

What are the key properties of (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide?

(2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide has a molecular weight of 924.08 g/mol, XLogP of 6.45, 22 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[4-[1-[3-[2-[2-[2-[[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]oxyphenyl]-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide is sourced from PubChem (CID 171833661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).