2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide

C28H40N2O2Si — CID 175959017

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide
SMILESCN1CCC(NC(=O)C2CCCC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C28H40N2O2Si/c1-28(2,3)33(23-12-7-5-8-13-23,24-14-9-6-10-15-24)32-26-17-11-16-25(26)27(31)29-22-18-20-30(4)21-19-22/h5-10,12-15,22,25-26H,11,16-21H2,1-4H3,(H,29,31)
InChIKeyHAJHUZDJLGOZDI-UHFFFAOYSA-N
MW464.73 g/mol
LogP3.94
Rot. Bonds6

About 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide

2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide (PubChem CID 175959017) has the molecular formula C28H40N2O2Si and a molecular weight of 464.73 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide
PubChem CID175959017
Molecular FormulaC28H40N2O2Si
Molecular Weight464.73 g/mol
Exact Mass464.29
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide
SMILESCN1CCC(NC(=O)C2CCCC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1
InChIInChI=1S/C28H40N2O2Si/c1-28(2,3)33(23-12-7-5-8-13-23,24-14-9-6-10-15-24)32-26-17-11-16-25(26)27(31)29-22-18-20-30(4)21-19-22/h5-10,12-15,22,25-26H,11,16-21H2,1-4H3,(H,29,31)
InChIKeyHAJHUZDJLGOZDI-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide (CID 175959017) is 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide is CN1CCC(NC(=O)C2CCCC2O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide?
The InChIKey is HAJHUZDJLGOZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2Si/c1-28(2,3)33(23-12-7-5-8-13-23,24-14-9-6-10-15-24)32-26-17-11-16-25(26)27(31)29-22-18-20-30(4)21-19-22/h5-10,12-15,22,25-26H,11,16-21H2,1-4H3,(H,29,31).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide?
2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide has a molecular weight of 464.73 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-N-(1-methylpiperidin-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 175959017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).