benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate

C22H35NO4Si — CID 175166887

IUPACbenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESCC(=O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H35NO4Si/c1-17(24)15-19-20(27-28(5,6)22(2,3)4)13-10-14-23(19)21(25)26-16-18-11-8-7-9-12-18/h7-9,11-12,19-20H,10,13-16H2,1-6H3/t19-,20+/m0/s1
InChIKeyZXIVZDDPNDXTIA-VQTJNVASSA-N
MW405.61 g/mol
LogP5.16
Rot. Bonds6

About benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate

benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate (PubChem CID 175166887) has the molecular formula C22H35NO4Si and a molecular weight of 405.61 g/mol. Its IUPAC name is benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate
PubChem CID175166887
Molecular FormulaC22H35NO4Si
Molecular Weight405.61 g/mol
Exact Mass405.23
IUPAC Namebenzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate
SMILESCC(=O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C22H35NO4Si/c1-17(24)15-19-20(27-28(5,6)22(2,3)4)13-10-14-23(19)21(25)26-16-18-11-8-7-9-12-18/h7-9,11-12,19-20H,10,13-16H2,1-6H3/t19-,20+/m0/s1
InChIKeyZXIVZDDPNDXTIA-VQTJNVASSA-N
XLogP5.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.61
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate (CID 175166887) is benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate is CC(=O)C[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate?
The InChIKey is ZXIVZDDPNDXTIA-VQTJNVASSA-N. The full InChI is InChI=1S/C22H35NO4Si/c1-17(24)15-19-20(27-28(5,6)22(2,3)4)13-10-14-23(19)21(25)26-16-18-11-8-7-9-12-18/h7-9,11-12,19-20H,10,13-16H2,1-6H3/t19-,20+/m0/s1.
What are the key properties of benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate?
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate has a molecular weight of 405.61 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-oxopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 175166887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).