tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate

C20H26N2O5 — CID 10785614

IUPACtert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H26N2O5/c1-20(2,3)27-19(25)21-12-8-7-11-15(21)16-17(23)26-18(24)22(16)13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyZUFDWEOKBRYBAR-JKSUJKDBSA-N
MW374.44 g/mol
LogP3.32
Rot. Bonds3

About tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate (PubChem CID 10785614) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate
PubChem CID10785614
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nametert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1C(=O)OC(=O)N1Cc1ccccc1
InChIInChI=1S/C20H26N2O5/c1-20(2,3)27-19(25)21-12-8-7-11-15(21)16-17(23)26-18(24)22(16)13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3/t15-,16+/m0/s1
InChIKeyZUFDWEOKBRYBAR-JKSUJKDBSA-N
XLogP3.32
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
benzyl (3S)-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-5-oxo-1,2-oxazolidine-2-carboxylate
CID 139047533
3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione
CID 11020718
tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate
CID 175955351
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
tert-butyl 2-(oxiran-2-yl)piperidine-1-carboxylate
CID 102537761
tert-butyl 5-phenylmethoxy-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxylate
CID 58739361
tert-butyl (2S)-2-benzyl-1,2,3,3a,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine-4-carboxylate
CID 175662712
tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 70242311
tert-butyl (3aR,7aR)-5-benzyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxylate
CID 124563064
tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate (CID 10785614) is tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H]1C(=O)OC(=O)N1Cc1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate?
The InChIKey is ZUFDWEOKBRYBAR-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-20(2,3)27-19(25)21-12-8-7-11-15(21)16-17(23)26-18(24)22(16)13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(4R)-3-benzyl-2,5-dioxo-1,3-oxazolidin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 10785614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).