4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate

C15H19NO4 — CID 3851418

IUPAC4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-14(17)12-8-10-16(11-9-12)15(18)20-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyOWDBGFKSQXWXKK-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.46
Rot. Bonds3

About 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate

4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate (PubChem CID 3851418) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
PubChem CID3851418
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-14(17)12-8-10-16(11-9-12)15(18)20-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3
InChIKeyOWDBGFKSQXWXKK-UHFFFAOYSA-N
XLogP2.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047
4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate
CID 70076614
phenyl 4-(ethylcarbamoyl)piperidine-1-carboxylate
CID 60746156
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-(2-anilino-2-oxoacetyl)piperidine-4-carboxylate
CID 44999677
ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
CID 108504159
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
ethyl 1-(3-acetyloxybenzoyl)piperidine-4-carboxylate
CID 6457246
ethyl 1-[2-[4-(2-phenoxyethoxy)anilino]acetyl]piperidine-4-carboxylate
CID 54822989

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate (CID 3851418) is 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate?
The InChIKey is OWDBGFKSQXWXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-14(17)12-8-10-16(11-9-12)15(18)20-13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate?
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate is sourced from PubChem (CID 3851418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).