tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate

C32H48N2O4Si — CID 171779089

IUPACtert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C32H48N2O4Si/c1-30(2,3)28-27(33-21-22-34(28)29(36)38-31(4,5)6)26(35)20-23-37-39(32(7,8)9,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,27-28,33H,20-23H2,1-9H3
InChIKeyPSDINTZGCUVSGZ-UHFFFAOYSA-N
MW552.83 g/mol
LogP5.15
Rot. Bonds7

About tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate

tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate (PubChem CID 171779089) has the molecular formula C32H48N2O4Si and a molecular weight of 552.83 g/mol. Its IUPAC name is tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate
PubChem CID171779089
Molecular FormulaC32H48N2O4Si
Molecular Weight552.83 g/mol
Exact Mass552.34
IUPAC Nametert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCNC(C(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1C(C)(C)C
InChIInChI=1S/C32H48N2O4Si/c1-30(2,3)28-27(33-21-22-34(28)29(36)38-31(4,5)6)26(35)20-23-37-39(32(7,8)9,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,27-28,33H,20-23H2,1-9H3
InChIKeyPSDINTZGCUVSGZ-UHFFFAOYSA-N
XLogP5.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.83
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]-3-(hydroxymethyl)piperazine-1-carboxylate
CID 171779093
tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidine-1-carboxylate
CID 175712806
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-hydroxypiperidine-1-carboxylate
CID 11431341
tert-butyl (2R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(dimethylamino)pyrrolidine-1-carboxylate
CID 139939732
tert-butyl (2S,4R)-4-amino-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 69332987
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 156837021
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 140904839
tert-butyl (2S,4S)-4-(aminomethyl)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 140846318
3-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 85218514
tert-butyl 2-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methylphenyl]methyl]piperazine-1-carboxylate
CID 21077233
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 178077601
tert-butyl 3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxomorpholine-4-carboxylate
CID 77297161

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate (CID 171779089) is tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCNC(C(=O)CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1C(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate?
The InChIKey is PSDINTZGCUVSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O4Si/c1-30(2,3)28-27(33-21-22-34(28)29(36)38-31(4,5)6)26(35)20-23-37-39(32(7,8)9,24-16-12-10-13-17-24)25-18-14-11-15-19-25/h10-19,27-28,33H,20-23H2,1-9H3.
What are the key properties of tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate?
tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate has a molecular weight of 552.83 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butyl-3-[3-[tert-butyl(diphenyl)silyl]oxypropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 171779089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).