ethyl formate;oxalic acid;piperazine;pyridine

C14H23N3O6 — CID 174896599

IUPACethyl formate;oxalic acid;piperazine;pyridine
SMILESC1CNCCN1.CCOC=O.O=C(O)C(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C4H10N2.C3H6O2.C2H2O4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-3-4;3-1(4)2(5)6/h1-5H;5-6H,1-4H2;3H,2H2,1H3;(H,3,4)(H,5,6)
InChIKeyCXBKHFKJNHGNCV-UHFFFAOYSA-N
MW329.35 g/mol
LogP-0.40
Rot. Bonds2

About ethyl formate;oxalic acid;piperazine;pyridine

ethyl formate;oxalic acid;piperazine;pyridine (PubChem CID 174896599) has the molecular formula C14H23N3O6 and a molecular weight of 329.35 g/mol. Its IUPAC name is ethyl formate;oxalic acid;piperazine;pyridine.

Molecular Properties

Compound Nameethyl formate;oxalic acid;piperazine;pyridine
PubChem CID174896599
Molecular FormulaC14H23N3O6
Molecular Weight329.35 g/mol
Exact Mass329.16
IUPAC Nameethyl formate;oxalic acid;piperazine;pyridine
SMILESC1CNCCN1.CCOC=O.O=C(O)C(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C4H10N2.C3H6O2.C2H2O4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-3-4;3-1(4)2(5)6/h1-5H;5-6H,1-4H2;3H,2H2,1H3;(H,3,4)(H,5,6)
InChIKeyCXBKHFKJNHGNCV-UHFFFAOYSA-N
XLogP-0.40
TPSA137.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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butyl formate;pyridine
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ethyl formate;(4-methylpiperidin-4-yl)methanol
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tert-butyl formate;pyridine;pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of ethyl formate;oxalic acid;piperazine;pyridine?
The IUPAC name of ethyl formate;oxalic acid;piperazine;pyridine (CID 174896599) is ethyl formate;oxalic acid;piperazine;pyridine.
What is the SMILES notation for ethyl formate;oxalic acid;piperazine;pyridine?
The canonical SMILES for ethyl formate;oxalic acid;piperazine;pyridine is C1CNCCN1.CCOC=O.O=C(O)C(=O)O.c1ccncc1.
What is the InChIKey of ethyl formate;oxalic acid;piperazine;pyridine?
The InChIKey is CXBKHFKJNHGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H10N2.C3H6O2.C2H2O4/c1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-3-4;3-1(4)2(5)6/h1-5H;5-6H,1-4H2;3H,2H2,1H3;(H,3,4)(H,5,6).
What are the key properties of ethyl formate;oxalic acid;piperazine;pyridine?
ethyl formate;oxalic acid;piperazine;pyridine has a molecular weight of 329.35 g/mol, XLogP of -0.40, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;oxalic acid;piperazine;pyridine is sourced from PubChem (CID 174896599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).