methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate

C26H43N3O5Si — CID 173296838

About methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate

methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate (PubChem CID 173296838) has the molecular formula C26H43N3O5Si and a molecular weight of 505.73 g/mol. Its IUPAC name is methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate
• PubChem CID: 173296838
• Molecular Formula: C26H43N3O5Si
• Molecular Weight: 505.73 g/mol
• Exact Mass: 505.30
• IUPAC Name: methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate
• SMILES: COC(=O)NCCO[C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](C[SiH2]C)CC2CCOCC2)C1
• InChI: InChI=1S/C26H43N3O5Si/c1-32-26(31)27-12-16-34-24(21-7-4-3-5-8-21)22-9-6-13-29(18-22)25(30)28-23(19-35-2)17-20-10-14-33-15-11-20/h3-5,7-8,20,22-24H,6,9-19,35H2,1-2H3,(H,27,31)(H,28,30)/t22-,23+,24+/m1/s1
• InChIKey: BMCRGXSBPJVZIB-SGNDLWITSA-N
• XLogP: 3.34
• TPSA: 89.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.73
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate?

The IUPAC name of methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate (CID 173296838) is methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate.

What is the SMILES notation for methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate?

The canonical SMILES for methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate is COC(=O)NCCO[C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](C[SiH2]C)CC2CCOCC2)C1.

What is the InChIKey of methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate?

The InChIKey is BMCRGXSBPJVZIB-SGNDLWITSA-N. The full InChI is InChI=1S/C26H43N3O5Si/c1-32-26(31)27-12-16-34-24(21-7-4-3-5-8-21)22-9-6-13-29(18-22)25(30)28-23(19-35-2)17-20-10-14-33-15-11-20/h3-5,7-8,20,22-24H,6,9-19,35H2,1-2H3,(H,27,31)(H,28,30)/t22-,23+,24+/m1/s1.

What are the key properties of methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate?

methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate has a molecular weight of 505.73 g/mol, XLogP of 3.34, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[(R)-[(3R)-1-[[(2S)-1-methylsilyl-3-(oxan-4-yl)propan-2-yl]carbamoyl]piperidin-3-yl]-phenylmethoxy]ethyl]carbamate is sourced from PubChem (CID 173296838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).