4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate

C15H18N2O6 — CID 70076614

IUPAC4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H18N2O6/c1-2-22-14(18)11-7-9-16(10-8-11)15(19)23-13-5-3-12(4-6-13)17(20)21/h3-6,11H,2,7-10H2,1H3
InChIKeyHQUWFXPAPODJEE-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.37
Rot. Bonds4

About 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate

4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate (PubChem CID 70076614) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate
PubChem CID70076614
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H18N2O6/c1-2-22-14(18)11-7-9-16(10-8-11)15(19)23-13-5-3-12(4-6-13)17(20)21/h3-6,11H,2,7-10H2,1H3
InChIKeyHQUWFXPAPODJEE-UHFFFAOYSA-N
XLogP2.37
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-O-(4-chlorophenyl) 4-O-ethyl piperidine-1,4-dicarboxylate
CID 127548047
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
ethyl 1-[2-(4-nitrophenoxy)propanoyl]piperidine-4-carboxylate
CID 17230843
(4-nitrophenyl) 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 59047422
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790
(4-nitrophenyl) 1-carbamoylpiperidine-4-carboxylate
CID 22716634
ethyl 1-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperidine-4-carboxylate
CID 3409235
ethyl 1-[2-[2-(4-nitrophenyl)sulfanylacetyl]oxyacetyl]piperidine-4-carboxylate
CID 7132262
(4-nitrophenyl) 4-(2-methylpyrimidin-5-yl)piperidine-1-carboxylate
CID 177160396
ethyl 1-(2-iodo-5-nitrobenzoyl)piperidine-4-carboxylate
CID 39715932
(4-nitrophenyl)methyl 1-acetylpiperidine-4-carboxylate
CID 78764011
(4-nitrophenyl) 3,5-dimethylpiperidine-1-carboxylate
CID 134299800

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate (CID 70076614) is 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate is CCOC(=O)C1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate?
The InChIKey is HQUWFXPAPODJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-2-22-14(18)11-7-9-16(10-8-11)15(19)23-13-5-3-12(4-6-13)17(20)21/h3-6,11H,2,7-10H2,1H3.
What are the key properties of 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate?
4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate has a molecular weight of 322.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 1-O-(4-nitrophenyl) piperidine-1,4-dicarboxylate is sourced from PubChem (CID 70076614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).