methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate

C30H40N4O6Si — CID 140780224

About methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate

methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 140780224) has the molecular formula C30H40N4O6Si and a molecular weight of 580.76 g/mol. Its IUPAC name is methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate
• PubChem CID: 140780224
• Molecular Formula: C30H40N4O6Si
• Molecular Weight: 580.76 g/mol
• Exact Mass: 580.27
• IUPAC Name: methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate
• SMILES: COC(=O)c1cc2ncn(CC(=O)C[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCCN3C(=O)OCc3ccccc3)c2cn1
• InChI: InChI=1S/C30H40N4O6Si/c1-30(2,3)41(5,6)40-27-13-10-14-34(29(37)39-19-21-11-8-7-9-12-21)25(27)15-22(35)18-33-20-32-23-16-24(28(36)38-4)31-17-26(23)33/h7-9,11-12,16-17,20,25,27H,10,13-15,18-19H2,1-6H3/t25-,27+/m1/s1
• InChIKey: SXJHNOQIFCFOOE-VPUSJEBWSA-N
• XLogP: 5.37
• TPSA: 112.85 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.76
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate?

The IUPAC name of methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate (CID 140780224) is methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate.

What is the SMILES notation for methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate?

The canonical SMILES for methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)c1cc2ncn(CC(=O)C[C@@H]3[C@@H](O[Si](C)(C)C(C)(C)C)CCCN3C(=O)OCc3ccccc3)c2cn1.

What is the InChIKey of methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate?

The InChIKey is SXJHNOQIFCFOOE-VPUSJEBWSA-N. The full InChI is InChI=1S/C30H40N4O6Si/c1-30(2,3)41(5,6)40-27-13-10-14-34(29(37)39-19-21-11-8-7-9-12-21)25(27)15-22(35)18-33-20-32-23-16-24(28(36)38-4)31-17-26(23)33/h7-9,11-12,16-17,20,25,27H,10,13-15,18-19H2,1-6H3/t25-,27+/m1/s1.

What are the key properties of methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate?

methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 580.76 g/mol, XLogP of 5.37, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylmethoxycarbonylpiperidin-2-yl]-2-oxopropyl]imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 140780224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).