tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate

C24H39N3O6Si — CID 140672940

IUPACtert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C(NC(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C24H39N3O6Si/c1-24(2,3)33-23(30)27-13-12-19(25-22(29)32-17-18-10-8-7-9-11-18)20(16-27)26-21(28)31-14-15-34(4,5)6/h7-11,19-20H,12-17H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyHDZFLFCCCGWMOD-UHFFFAOYSA-N
MW493.68 g/mol
LogP4.36
Rot. Bonds7

About tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate

tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate (PubChem CID 140672940) has the molecular formula C24H39N3O6Si and a molecular weight of 493.68 g/mol. Its IUPAC name is tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate
PubChem CID140672940
Molecular FormulaC24H39N3O6Si
Molecular Weight493.68 g/mol
Exact Mass493.26
IUPAC Nametert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C(NC(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C24H39N3O6Si/c1-24(2,3)33-23(30)27-13-12-19(25-22(29)32-17-18-10-8-7-9-11-18)20(16-27)26-21(28)31-14-15-34(4,5)6/h7-11,19-20H,12-17H2,1-6H3,(H,25,29)(H,26,28)
InChIKeyHDZFLFCCCGWMOD-UHFFFAOYSA-N
XLogP4.36
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(phenylmethoxycarbonylamino)piperidin-3-yl]acetic acid
CID 165498196
(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 91321164
tert-butyl (3R,4S)-3-azido-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 131736927
tert-butyl 3-fluoro-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 83853939
tert-butyl (3R,4R)-3-ethyl-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 168786450
tert-butyl (4aS,6R,7aR)-6-(phenylmethoxycarbonylamino)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate
CID 70371401
tert-butyl (3R,4R)-3-(phenylmethoxycarbonylamino)-4-(3-phenylphenyl)piperidine-1-carboxylate
CID 67330754
tert-butyl 3-methoxy-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 70982900
tert-butyl 3-hydroxy-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
CID 68809547
tert-butyl (5R)-4-fluoro-3-hydroxy-5-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 175542980
2-trimethylsilylethyl (3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 66621710
sodium;tert-butyl (3S,4R)-3-azido-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;tert-butyl (3R,4R)-3-methyl-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylate;methane;azide
CID 158163822

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate (CID 140672940) is tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C(NC(=O)OCC[Si](C)(C)C)C1.
What is the InChIKey of tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate?
The InChIKey is HDZFLFCCCGWMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O6Si/c1-24(2,3)33-23(30)27-13-12-19(25-22(29)32-17-18-10-8-7-9-11-18)20(16-27)26-21(28)31-14-15-34(4,5)6/h7-11,19-20H,12-17H2,1-6H3,(H,25,29)(H,26,28).
What are the key properties of tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate?
tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate has a molecular weight of 493.68 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(phenylmethoxycarbonylamino)-3-(2-trimethylsilylethoxycarbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 140672940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).