tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate

C32H50N4O6Si — CID 131749205

About tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate

tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate (PubChem CID 131749205) has the molecular formula C32H50N4O6Si and a molecular weight of 614.86 g/mol. Its IUPAC name is tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate
• PubChem CID: 131749205
• Molecular Formula: C32H50N4O6Si
• Molecular Weight: 614.86 g/mol
• Exact Mass: 614.35
• IUPAC Name: tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)N(CC1CCN(C(=O)C2CNC2)CC1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C32H50N4O6Si/c1-31(2,3)41-30(40)36(19-21-13-15-35(16-14-21)29(39)22-17-33-18-22)20-26(42-43(7,8)32(4,5)6)23-9-11-25(37)28-24(23)10-12-27(38)34-28/h9-12,21-22,26,33,37H,13-20H2,1-8H3,(H,34,38)/t26-/m0/s1
• InChIKey: MWTWRFVSMXBZND-SANMLTNESA-N
• XLogP: 4.99
• TPSA: 124.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	614.86
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate?

The IUPAC name of tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate (CID 131749205) is tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate?

The canonical SMILES for tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)N(CC1CCN(C(=O)C2CNC2)CC1)C[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(O)c2[nH]c(=O)ccc12.

What is the InChIKey of tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate?

The InChIKey is MWTWRFVSMXBZND-SANMLTNESA-N. The full InChI is InChI=1S/C32H50N4O6Si/c1-31(2,3)41-30(40)36(19-21-13-15-35(16-14-21)29(39)22-17-33-18-22)20-26(42-43(7,8)32(4,5)6)23-9-11-25(37)28-24(23)10-12-27(38)34-28/h9-12,21-22,26,33,37H,13-20H2,1-8H3,(H,34,38)/t26-/m0/s1.

What are the key properties of tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate?

tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate has a molecular weight of 614.86 g/mol, XLogP of 4.99, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[1-(azetidine-3-carbonyl)piperidin-4-yl]methyl]-N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]carbamate is sourced from PubChem (CID 131749205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).