methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate

C56H70N4O6Si — CID 156679011

About methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate

methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 156679011) has the molecular formula C56H70N4O6Si and a molecular weight of 923.28 g/mol. Its IUPAC name is methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

• Compound Name: methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate
• PubChem CID: 156679011
• Molecular Formula: C56H70N4O6Si
• Molecular Weight: 923.28 g/mol
• Exact Mass: 922.51
• IUPAC Name: methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate
• SMILES: CCn1c(-c2cccnc2[C@H](C)OC)c(CC(C)(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2cc(N3CCC[C@@H](CC(NC(=O)OCc4ccccc4)C(=O)OC)C3)ccc21
• InChI: InChI=1S/C56H70N4O6Si/c1-10-60-50-31-30-43(59-33-21-24-42(37-59)34-49(53(61)64-9)58-54(62)65-38-41-22-14-11-15-23-41)35-47(50)48(52(60)46-29-20-32-57-51(46)40(2)63-8)36-56(6,7)39-66-67(55(3,4)5,44-25-16-12-17-26-44)45-27-18-13-19-28-45/h11-20,22-23,25-32,35,40,42,49H,10,21,24,33-34,36-39H2,1-9H3,(H,58,62)/t40-,42-,49?/m0/s1
• InChIKey: LPXMQZZWDKMLAJ-IKHQUZDLSA-N
• XLogP: 10.65
• TPSA: 104.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.28
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	1
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-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate?

The IUPAC name of methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate (CID 156679011) is methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate.

What is the SMILES notation for methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate?

The canonical SMILES for methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate is CCn1c(-c2cccnc2[C@H](C)OC)c(CC(C)(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2cc(N3CCC[C@@H](CC(NC(=O)OCc4ccccc4)C(=O)OC)C3)ccc21.

What is the InChIKey of methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate?

The InChIKey is LPXMQZZWDKMLAJ-IKHQUZDLSA-N. The full InChI is InChI=1S/C56H70N4O6Si/c1-10-60-50-31-30-43(59-33-21-24-42(37-59)34-49(53(61)64-9)58-54(62)65-38-41-22-14-11-15-23-41)35-47(50)48(52(60)46-29-20-32-57-51(46)40(2)63-8)36-56(6,7)39-66-67(55(3,4)5,44-25-16-12-17-26-44)45-27-18-13-19-28-45/h11-20,22-23,25-32,35,40,42,49H,10,21,24,33-34,36-39H2,1-9H3,(H,58,62)/t40-,42-,49?/m0/s1.

What are the key properties of methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate?

methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 923.28 g/mol, XLogP of 10.65, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[(3S)-1-[3-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-1-ethyl-2-[2-[(1S)-1-methoxyethyl]-3-pyridinyl]indol-5-yl]piperidin-3-yl]-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 156679011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).