3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one

C25H34N2O2Si — CID 67354107

IUPAC3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OC1CCN(C2CCNC2=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34N2O2Si/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-20-15-18-27(19-16-20)23-14-17-26-24(23)28/h4-13,20,23H,14-19H2,1-3H3,(H,26,28)
InChIKeyDLAWIPKVIQSFAH-UHFFFAOYSA-N
MW422.65 g/mol
LogP2.92
Rot. Bonds5

About 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one

3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one (PubChem CID 67354107) has the molecular formula C25H34N2O2Si and a molecular weight of 422.65 g/mol. Its IUPAC name is 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one
PubChem CID67354107
Molecular FormulaC25H34N2O2Si
Molecular Weight422.65 g/mol
Exact Mass422.24
IUPAC Name3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one
SMILESCC(C)(C)[Si](OC1CCN(C2CCNC2=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H34N2O2Si/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-20-15-18-27(19-16-20)23-14-17-26-24(23)28/h4-13,20,23H,14-19H2,1-3H3,(H,26,28)
InChIKeyDLAWIPKVIQSFAH-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.65
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one (CID 67354107) is 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one is CC(C)(C)[Si](OC1CCN(C2CCNC2=O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one?
The InChIKey is DLAWIPKVIQSFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2Si/c1-25(2,3)30(21-10-6-4-7-11-21,22-12-8-5-9-13-22)29-20-15-18-27(19-16-20)23-14-17-26-24(23)28/h4-13,20,23H,14-19H2,1-3H3,(H,26,28).
What are the key properties of 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one?
3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one has a molecular weight of 422.65 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[tert-butyl(diphenyl)silyl]oxypiperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 67354107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).