ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate

C15H25NO5 — CID 118595373

IUPACditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-14(2,3)20-12(18)11-9-10(17)7-8-16(11)13(19)21-15(4,5)6/h11H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyXFSHUQRYLKZPLR-LLVKDONJSA-N
MW299.37 g/mol
LogP2.30
Rot. Bonds1

About ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate

ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate (PubChem CID 118595373) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
PubChem CID118595373
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Nameditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO5/c1-14(2,3)20-12(18)11-9-10(17)7-8-16(11)13(19)21-15(4,5)6/h11H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyXFSHUQRYLKZPLR-LLVKDONJSA-N
XLogP2.30
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-acetyl-4-oxopiperidine-1-carboxylate
CID 77452835
1-O-tert-butyl 2-O-ethyl 4-oxopiperidine-1,2-dicarboxylate
CID 15928262
tert-butyl 2-(cyclopropanecarbonyl)-4-oxopiperidine-1-carboxylate
CID 174717068
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopiperidine-1-carboxylate
CID 141148809
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
ditert-butyl 4-methylidenepyrrolidine-1,2-dicarboxylate
CID 18967904
1-O-tert-butyl 2-O-methyl 4-oxopiperidine-1,2-dicarboxylate;1-O-tert-butyl 6-O-methyl 4-(trifluoromethylsulfonyloxy)-3,6-dihydro-2H-pyridine-1,6-dicarboxylate
CID 161164468
tert-butyl 4-oxo-2-prop-2-enylpiperidine-1-carboxylate
CID 18340820
1-O-tert-butyl 2-O-methyl (4Z)-4-(methoxymethylidene)piperidine-1,2-dicarboxylate
CID 163294572
1-O-tert-butyl 2-O-methyl 3-methylidenepyrrolidine-1,2-dicarboxylate
CID 66788552
ditert-butyl (2S)-4-aminopiperidine-1,2-dicarboxylate
CID 90070662

Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate?
The IUPAC name of ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate (CID 118595373) is ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate.
What is the SMILES notation for ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate?
The canonical SMILES for ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate is CC(C)(C)OC(=O)[C@H]1CC(=O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate?
The InChIKey is XFSHUQRYLKZPLR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H25NO5/c1-14(2,3)20-12(18)11-9-10(17)7-8-16(11)13(19)21-15(4,5)6/h11H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate?
ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2R)-4-oxopiperidine-1,2-dicarboxylate is sourced from PubChem (CID 118595373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).