N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide

C22H31F3N2O2Si — CID 175600460

IUPACN-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)OCc1cc(NC(=O)C(F)(F)F)ccc1C#CC1CCNCC1
InChIInChI=1S/C22H31F3N2O2Si/c1-21(2,3)30(4,5)29-15-18-14-19(27-20(28)22(23,24)25)9-8-17(18)7-6-16-10-12-26-13-11-16/h8-9,14,16,26H,10-13,15H2,1-5H3,(H,27,28)
InChIKeyANMNFZUBGCXWHP-UHFFFAOYSA-N
MW440.58 g/mol
LogP5.06
Rot. Bonds4

About N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide

N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 175600460) has the molecular formula C22H31F3N2O2Si and a molecular weight of 440.58 g/mol. Its IUPAC name is N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID175600460
Molecular FormulaC22H31F3N2O2Si
Molecular Weight440.58 g/mol
Exact Mass440.21
IUPAC NameN-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)OCc1cc(NC(=O)C(F)(F)F)ccc1C#CC1CCNCC1
InChIInChI=1S/C22H31F3N2O2Si/c1-21(2,3)30(4,5)29-15-18-14-19(27-20(28)22(23,24)25)9-8-17(18)7-6-16-10-12-26-13-11-16/h8-9,14,16,26H,10-13,15H2,1-5H3,(H,27,28)
InChIKeyANMNFZUBGCXWHP-UHFFFAOYSA-N
XLogP5.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide 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 N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide (CID 175600460) is N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](C)(C)OCc1cc(NC(=O)C(F)(F)F)ccc1C#CC1CCNCC1.
What is the InChIKey of N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is ANMNFZUBGCXWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F3N2O2Si/c1-21(2,3)30(4,5)29-15-18-14-19(27-20(28)22(23,24)25)9-8-17(18)7-6-16-10-12-26-13-11-16/h8-9,14,16,26H,10-13,15H2,1-5H3,(H,27,28).
What are the key properties of N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide?
N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 440.58 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2-piperidin-4-ylethynyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 175600460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).