[1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C39H48N6O6 — CID 10055489

About [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 10055489) has the molecular formula C39H48N6O6 and a molecular weight of 696.85 g/mol. Its IUPAC name is [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

• Compound Name: [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• PubChem CID: 10055489
• Molecular Formula: C39H48N6O6
• Molecular Weight: 696.85 g/mol
• Exact Mass: 696.36
• IUPAC Name: [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• SMILES: O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)N2CCC(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)CC2)CC1
• InChI: InChI=1S/C39H48N6O6/c46-34-12-10-31(32-11-13-36(48)43-37(32)34)35(47)26-40-19-14-27-15-23-45(24-16-27)38(49)41-20-25-44-21-17-29(18-22-44)51-39(50)42-33-9-5-4-8-30(33)28-6-2-1-3-7-28/h1-13,27,29,35,40,46-47H,14-26H2,(H,41,49)(H,42,50)(H,43,48)/t35-/m0/s1
• InChIKey: QIAZSYGSBGKPAU-DHUJRADRSA-N
• XLogP: 5.05
• TPSA: 159.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	696.85
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The IUPAC name of [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 10055489) is [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

What is the SMILES notation for [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The canonical SMILES for [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)N2CCC(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)CC2)CC1.

What is the InChIKey of [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

The InChIKey is QIAZSYGSBGKPAU-DHUJRADRSA-N. The full InChI is InChI=1S/C39H48N6O6/c46-34-12-10-31(32-11-13-36(48)43-37(32)34)35(47)26-40-19-14-27-15-23-45(24-16-27)38(49)41-20-25-44-21-17-29(18-22-44)51-39(50)42-33-9-5-4-8-30(33)28-6-2-1-3-7-28/h1-13,27,29,35,40,46-47H,14-26H2,(H,41,49)(H,42,50)(H,43,48)/t35-/m0/s1.

What are the key properties of [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?

[1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 696.85 g/mol, XLogP of 5.05, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-[[4-[2-[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]ethyl]piperidine-1-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 10055489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).