1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate

C18H23NO5 — CID 58783948

IUPAC1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C(=O)C1
InChIInChI=1S/C18H23NO5/c1-17(2,3)24-16(22)19-11-10-18(12-14(19)20,15(21)23-4)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyOYDNUKUOAJQRMJ-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.65
Rot. Bonds2

About 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate (PubChem CID 58783948) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate
PubChem CID58783948
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C(=O)C1
InChIInChI=1S/C18H23NO5/c1-17(2,3)24-16(22)19-11-10-18(12-14(19)20,15(21)23-4)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyOYDNUKUOAJQRMJ-UHFFFAOYSA-N
XLogP2.65
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate (CID 58783948) is 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate is COC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)C(=O)C1.
What is the InChIKey of 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate?
The InChIKey is OYDNUKUOAJQRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-17(2,3)24-16(22)19-11-10-18(12-14(19)20,15(21)23-4)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3.
What are the key properties of 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate has a molecular weight of 333.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-methyl 2-oxo-4-phenylpiperidine-1,4-dicarboxylate is sourced from PubChem (CID 58783948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).