tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate

C27H50N2O4Si — CID 140644503

About tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate

tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate (PubChem CID 140644503) has the molecular formula C27H50N2O4Si and a molecular weight of 494.79 g/mol. Its IUPAC name is tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate
• PubChem CID: 140644503
• Molecular Formula: C27H50N2O4Si
• Molecular Weight: 494.79 g/mol
• Exact Mass: 494.35
• IUPAC Name: tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCC1CCCC(C2CCN(C(=O)CC3CCCC([Si](C)(C)O)C3)CC2)C1
• InChI: InChI=1S/C27H50N2O4Si/c1-27(2,3)33-26(31)28-19-21-9-6-10-23(16-21)22-12-14-29(15-13-22)25(30)18-20-8-7-11-24(17-20)34(4,5)32/h20-24,32H,6-19H2,1-5H3,(H,28,31)
• InChIKey: OPPPVHOKHZEWSP-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.79
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate (CID 140644503) is tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC(C2CCN(C(=O)CC3CCCC([Si](C)(C)O)C3)CC2)C1.

What is the InChIKey of tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate?

The InChIKey is OPPPVHOKHZEWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N2O4Si/c1-27(2,3)33-26(31)28-19-21-9-6-10-23(16-21)22-12-14-29(15-13-22)25(30)18-20-8-7-11-24(17-20)34(4,5)32/h20-24,32H,6-19H2,1-5H3,(H,28,31).

What are the key properties of tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate?

tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate has a molecular weight of 494.79 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 140644503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).