tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate

C31H45N3O6Si — CID 68568947

IUPACtert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C31H45N3O6Si/c1-30(2,3)40-29(37)34-20-18-23(19-21-34)32-28(36)33-26(27(35)38-7)22-39-41(31(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23,26H,18-22H2,1-7H3,(H2,32,33,36)/t26-/m0/s1
InChIKeyCITIJBKPNPXSME-SANMLTNESA-N
MW583.80 g/mol
LogP3.80
Rot. Bonds8

About tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate

tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate (PubChem CID 68568947) has the molecular formula C31H45N3O6Si and a molecular weight of 583.80 g/mol. Its IUPAC name is tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate
PubChem CID68568947
Molecular FormulaC31H45N3O6Si
Molecular Weight583.80 g/mol
Exact Mass583.31
IUPAC Nametert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate
SMILESCOC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C31H45N3O6Si/c1-30(2,3)40-29(37)34-20-18-23(19-21-34)32-28(36)33-26(27(35)38-7)22-39-41(31(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23,26H,18-22H2,1-7H3,(H2,32,33,36)/t26-/m0/s1
InChIKeyCITIJBKPNPXSME-SANMLTNESA-N
XLogP3.80
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.80
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-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 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate (CID 68568947) is tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate is COC(=O)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate?
The InChIKey is CITIJBKPNPXSME-SANMLTNESA-N. The full InChI is InChI=1S/C31H45N3O6Si/c1-30(2,3)40-29(37)34-20-18-23(19-21-34)32-28(36)33-26(27(35)38-7)22-39-41(31(4,5)6,24-14-10-8-11-15-24)25-16-12-9-13-17-25/h8-17,23,26H,18-22H2,1-7H3,(H2,32,33,36)/t26-/m0/s1.
What are the key properties of tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate?
tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate has a molecular weight of 583.80 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxopropan-2-yl]carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 68568947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).