tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate

C35H53N3O4Si — CID 67080610

IUPACtert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate
SMILESC[C@H]1C(=O)N([C@@H](CCN2CCCCC2)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C35H53N3O4Si/c1-28-32(39)38(26-25-37(28)33(40)42-34(2,3)4)29(21-24-36-22-15-10-16-23-36)27-41-43(35(5,6)7,30-17-11-8-12-18-30)31-19-13-9-14-20-31/h8-9,11-14,17-20,28-29H,10,15-16,21-27H2,1-7H3/t28-,29-/m0/s1
InChIKeyDVFGJXYZDBDRTG-VMPREFPWSA-N
MW607.91 g/mol
LogP5.28
Rot. Bonds9

About tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate

tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate (PubChem CID 67080610) has the molecular formula C35H53N3O4Si and a molecular weight of 607.91 g/mol. Its IUPAC name is tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate
PubChem CID67080610
Molecular FormulaC35H53N3O4Si
Molecular Weight607.91 g/mol
Exact Mass607.38
IUPAC Nametert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate
SMILESC[C@H]1C(=O)N([C@@H](CCN2CCCCC2)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C35H53N3O4Si/c1-28-32(39)38(26-25-37(28)33(40)42-34(2,3)4)29(21-24-36-22-15-10-16-23-36)27-41-43(35(5,6)7,30-17-11-8-12-18-30)31-19-13-9-14-20-31/h8-9,11-14,17-20,28-29H,10,15-16,21-27H2,1-7H3/t28-,29-/m0/s1
InChIKeyDVFGJXYZDBDRTG-VMPREFPWSA-N
XLogP5.28
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.91
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate (CID 67080610) is tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate is C[C@H]1C(=O)N([C@@H](CCN2CCCCC2)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate?
The InChIKey is DVFGJXYZDBDRTG-VMPREFPWSA-N. The full InChI is InChI=1S/C35H53N3O4Si/c1-28-32(39)38(26-25-37(28)33(40)42-34(2,3)4)29(21-24-36-22-15-10-16-23-36)27-41-43(35(5,6)7,30-17-11-8-12-18-30)31-19-13-9-14-20-31/h8-9,11-14,17-20,28-29H,10,15-16,21-27H2,1-7H3/t28-,29-/m0/s1.
What are the key properties of tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate?
tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate has a molecular weight of 607.91 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-piperidin-1-ylbutan-2-yl]-2-methyl-3-oxopiperazine-1-carboxylate is sourced from PubChem (CID 67080610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).