tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate

C36H68N2O9Si2 — CID 160910646

IUPACtert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate
SMILESCC(=O)OC/C=C1\CN(C(=O)OC(C)(C)C)CCC1O[Si](C)(C)C(C)(C)C.CC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C(C)(C)C)C(=O)C1
InChIInChI=1S/C20H37NO5Si.C16H31NO4Si/c1-15(22)24-13-11-16-14-21(18(23)25-19(2,3)4)12-10-17(16)26-27(8,9)20(5,6)7;1-15(2,3)20-14(19)17-10-9-13(12(18)11-17)21-22(7,8)16(4,5)6/h11,17H,10,12-14H2,1-9H3;13H,9-11H2,1-8H3/b16-11+;
InChIKeySQSOJILFVDGWBW-YFMOEUEHSA-N
MW729.12 g/mol
LogP8.09
Rot. Bonds6

About tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate

tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate (PubChem CID 160910646) has the molecular formula C36H68N2O9Si2 and a molecular weight of 729.12 g/mol. Its IUPAC name is tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate
PubChem CID160910646
Molecular FormulaC36H68N2O9Si2
Molecular Weight729.12 g/mol
Exact Mass728.45
IUPAC Nametert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate
SMILESCC(=O)OC/C=C1\CN(C(=O)OC(C)(C)C)CCC1O[Si](C)(C)C(C)(C)C.CC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C(C)(C)C)C(=O)C1
InChIInChI=1S/C20H37NO5Si.C16H31NO4Si/c1-15(22)24-13-11-16-14-21(18(23)25-19(2,3)4)12-10-17(16)26-27(8,9)20(5,6)7;1-15(2,3)20-14(19)17-10-9-13(12(18)11-17)21-22(7,8)16(4,5)6/h11,17H,10,12-14H2,1-9H3;13H,9-11H2,1-8H3/b16-11+;
InChIKeySQSOJILFVDGWBW-YFMOEUEHSA-N
XLogP8.09
TPSA120.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.12
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-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 (3E)-4-[tert-butyl(dimethyl)silyl]oxy-3-(cyanomethylidene)piperidine-1-carboxylate
CID 23138876
tert-butyl (4R)-4-methyl-3-oxopiperidine-1-carboxylate
CID 97007931
tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate
CID 83488576
tert-butyl (5E)-5-(2-acetyloxyethylidene)-3-methylazepane-1-carboxylate
CID 155716672
tert-butyl 4-(2-ethoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
CID 138110908
tert-butyl 4-cyano-3-oxopiperidine-1-carboxylate
CID 71695402
tert-butyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 129407130
tert-butyl (3S,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]pyrrolidine-1-carboxylate
CID 135017355
tert-butyl (3E)-3-(2-ethoxy-2-oxoethylidene)-4-hydroxypiperidine-1-carboxylate
CID 169440077
tert-butyl 4-(2-methoxy-2-oxoacetyl)-3-oxopiperidine-1-carboxylate
CID 46941587
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate
CID 71567400
tert-butyl 3-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate
CID 174041768

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate (CID 160910646) is tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate is CC(=O)OC/C=C1\CN(C(=O)OC(C)(C)C)CCC1O[Si](C)(C)C(C)(C)C.CC(C)(C)OC(=O)N1CCC(O[Si](C)(C)C(C)(C)C)C(=O)C1.
What is the InChIKey of tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate?
The InChIKey is SQSOJILFVDGWBW-YFMOEUEHSA-N. The full InChI is InChI=1S/C20H37NO5Si.C16H31NO4Si/c1-15(22)24-13-11-16-14-21(18(23)25-19(2,3)4)12-10-17(16)26-27(8,9)20(5,6)7;1-15(2,3)20-14(19)17-10-9-13(12(18)11-17)21-22(7,8)16(4,5)6/h11,17H,10,12-14H2,1-9H3;13H,9-11H2,1-8H3/b16-11+;.
What are the key properties of tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate?
tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate has a molecular weight of 729.12 g/mol, XLogP of 8.09, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3E)-3-(2-acetyloxyethylidene)-4-[tert-butyl(dimethyl)silyl]oxypiperidine-1-carboxylate;tert-butyl 4-[tert-butyl(dimethyl)silyl]oxy-3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 160910646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).