benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate

C24H40N2O5Si — CID 162347089

IUPACbenzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C24H40N2O5Si/c1-7-32(8-2,9-3)31-21-15-20(25-22(27)30-24(4,5)6)16-26(17-21)23(28)29-18-19-13-11-10-12-14-19/h10-14,20-21H,7-9,15-18H2,1-6H3,(H,25,27)/t20-,21+/m0/s1
InChIKeyWKHRBWNIBADTLL-LEWJYISDSA-N
MW464.68 g/mol
LogP5.31
Rot. Bonds8

About benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate

benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate (PubChem CID 162347089) has the molecular formula C24H40N2O5Si and a molecular weight of 464.68 g/mol. Its IUPAC name is benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate
PubChem CID162347089
Molecular FormulaC24H40N2O5Si
Molecular Weight464.68 g/mol
Exact Mass464.27
IUPAC Namebenzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate
SMILESCC[Si](CC)(CC)O[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C24H40N2O5Si/c1-7-32(8-2,9-3)31-21-15-20(25-22(27)30-24(4,5)6)16-26(17-21)23(28)29-18-19-13-11-10-12-14-19/h10-14,20-21H,7-9,15-18H2,1-6H3,(H,25,27)/t20-,21+/m0/s1
InChIKeyWKHRBWNIBADTLL-LEWJYISDSA-N
XLogP5.31
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.68
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 3-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 76773278
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] 3-(phenylmethoxycarbonylamino)azetidine-1-carboxylate
CID 170765411
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 14555478
1-O-tert-butyl 3-O-methyl (3S,5R)-5-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 70274467
benzyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 59254368
benzyl (5S)-3,3-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 142751835
benzyl 4-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperazine-1-carboxylate
CID 165176941
benzyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 76614972
tert-butyl 5-(phenylmethoxycarbonylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 77410972
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
N-[(3S,5R)-5-acetamidopiperidin-3-yl]acetamide;acetyl acetate;benzyl (3S,5R)-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl (3S,5R)-3,5-diacetamidopiperidine-1-carboxylate;benzyl (3R,5S)-3,5-diaminopiperidine-1-carboxylate
CID 160760167
benzyl 3-(tert-butylperoxycarbonylamino)-5-cyclopropylpiperidine-1-carboxylate
CID 162768687

Frequently Asked Questions

What is the IUPAC name of benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate?
The IUPAC name of benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate (CID 162347089) is benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate is CC[Si](CC)(CC)O[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate?
The InChIKey is WKHRBWNIBADTLL-LEWJYISDSA-N. The full InChI is InChI=1S/C24H40N2O5Si/c1-7-32(8-2,9-3)31-21-15-20(25-22(27)30-24(4,5)6)16-26(17-21)23(28)29-18-19-13-11-10-12-14-19/h10-14,20-21H,7-9,15-18H2,1-6H3,(H,25,27)/t20-,21+/m0/s1.
What are the key properties of benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate?
benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate has a molecular weight of 464.68 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilyloxypiperidine-1-carboxylate is sourced from PubChem (CID 162347089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).