N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide

C40H60N4O4Si — CID 123578705

About N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide

N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide (PubChem CID 123578705) has the molecular formula C40H60N4O4Si and a molecular weight of 689.03 g/mol. Its IUPAC name is N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

• Compound Name: N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide
• PubChem CID: 123578705
• Molecular Formula: C40H60N4O4Si
• Molecular Weight: 689.03 g/mol
• Exact Mass: 688.44
• IUPAC Name: N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide
• SMILES: CC(C)(C)[Si](C)(C)O[C@@H](CNCC1CCCC(CNC(=O)CCN2CCCCC2)C1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C40H60N4O4Si/c1-40(2,3)49(4,5)48-36(33-17-19-35(39-34(33)18-20-38(46)43-39)47-29-30-13-8-6-9-14-30)28-41-26-31-15-12-16-32(25-31)27-42-37(45)21-24-44-22-10-7-11-23-44/h6,8-9,13-14,17-20,31-32,36,41H,7,10-12,15-16,21-29H2,1-5H3,(H,42,45)(H,43,46)/t31?,32?,36-/m0/s1
• InChIKey: UWBIFAMHPPUEEI-RTRHYIFRSA-N
• XLogP: 7.56
• TPSA: 95.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.03
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide?

The IUPAC name of N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide (CID 123578705) is N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide.

What is the SMILES notation for N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide?

The canonical SMILES for N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide is CC(C)(C)[Si](C)(C)O[C@@H](CNCC1CCCC(CNC(=O)CCN2CCCCC2)C1)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12.

What is the InChIKey of N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide?

The InChIKey is UWBIFAMHPPUEEI-RTRHYIFRSA-N. The full InChI is InChI=1S/C40H60N4O4Si/c1-40(2,3)49(4,5)48-36(33-17-19-35(39-34(33)18-20-38(46)43-39)47-29-30-13-8-6-9-14-30)28-41-26-31-15-12-16-32(25-31)27-42-37(45)21-24-44-22-10-7-11-23-44/h6,8-9,13-14,17-20,31-32,36,41H,7,10-12,15-16,21-29H2,1-5H3,(H,42,45)(H,43,46)/t31?,32?,36-/m0/s1.

What are the key properties of N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide?

N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide has a molecular weight of 689.03 g/mol, XLogP of 7.56, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]methyl]cyclohexyl]methyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 123578705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).