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

C27H50N2O4Si — CID 140644503

IUPACtert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC(C2CCN(C(=O)CC3CCCC([Si](C)(C)O)C3)CC2)C1
InChIInChI=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)
InChIKeyOPPPVHOKHZEWSP-UHFFFAOYSA-N
MW494.79 g/mol
LogP5.70
Rot. Bonds6

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 Nametert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate
PubChem CID140644503
Molecular FormulaC27H50N2O4Si
Molecular Weight494.79 g/mol
Exact Mass494.35
IUPAC Nametert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC(C2CCN(C(=O)CC3CCCC([Si](C)(C)O)C3)CC2)C1
InChIInChI=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)
InChIKeyOPPPVHOKHZEWSP-UHFFFAOYSA-N
XLogP5.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.79
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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).