ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate

C14H20N2O7 — CID 55728688

IUPACethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)C2CC2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20N2O7/c1-2-22-13(18)9-3-5-15(6-4-9)12(17)8-23-14(19)10-7-11(10)16(20)21/h9-11H,2-8H2,1H3
InChIKeyVSZZEAIOEBFZJR-UHFFFAOYSA-N
MW328.32 g/mol
LogP-0.00
Rot. Bonds6

About ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate

ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate (PubChem CID 55728688) has the molecular formula C14H20N2O7 and a molecular weight of 328.32 g/mol. Its IUPAC name is ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate
PubChem CID55728688
Molecular FormulaC14H20N2O7
Molecular Weight328.32 g/mol
Exact Mass328.13
IUPAC Nameethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COC(=O)C2CC2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20N2O7/c1-2-22-13(18)9-3-5-15(6-4-9)12(17)8-23-14(19)10-7-11(10)16(20)21/h9-11H,2-8H2,1H3
InChIKeyVSZZEAIOEBFZJR-UHFFFAOYSA-N
XLogP-0.00
TPSA116.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate (CID 55728688) is ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COC(=O)C2CC2[N+](=O)[O-])CC1.
What is the InChIKey of ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate?
The InChIKey is VSZZEAIOEBFZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O7/c1-2-22-13(18)9-3-5-15(6-4-9)12(17)8-23-14(19)10-7-11(10)16(20)21/h9-11H,2-8H2,1H3.
What are the key properties of ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate has a molecular weight of 328.32 g/mol, XLogP of -0.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-nitrocyclopropanecarbonyl)oxyacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 55728688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).