ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate

C16H25N3O4 — CID 16802431

IUPACethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn(CC)nc2OCC)CC1
InChIInChI=1S/C16H25N3O4/c1-4-19-11-13(14(17-19)22-5-2)15(20)18-9-7-12(8-10-18)16(21)23-6-3/h11-12H,4-10H2,1-3H3
InChIKeyJSOARBGFEASYRG-UHFFFAOYSA-N
MW323.39 g/mol
LogP1.72
Rot. Bonds6

About ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 16802431) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID16802431
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Nameethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cn(CC)nc2OCC)CC1
InChIInChI=1S/C16H25N3O4/c1-4-19-11-13(14(17-19)22-5-2)15(20)18-9-7-12(8-10-18)16(21)23-6-3/h11-12H,4-10H2,1-3H3
InChIKeyJSOARBGFEASYRG-UHFFFAOYSA-N
XLogP1.72
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate (CID 16802431) is ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cn(CC)nc2OCC)CC1.
What is the InChIKey of ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is JSOARBGFEASYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-4-19-11-13(14(17-19)22-5-2)15(20)18-9-7-12(8-10-18)16(21)23-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 16802431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).