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

C15H23N3O4 — CID 16802432

IUPACmethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOc1nn(CC)cc1C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H23N3O4/c1-4-18-10-12(13(16-18)22-5-2)14(19)17-8-6-11(7-9-17)15(20)21-3/h10-11H,4-9H2,1-3H3
InChIKeyKZWCRORYHVECDU-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.33
Rot. Bonds5

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

methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 16802432) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID16802432
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Namemethyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOc1nn(CC)cc1C(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H23N3O4/c1-4-18-10-12(13(16-18)22-5-2)14(19)17-8-6-11(7-9-17)15(20)21-3/h10-11H,4-9H2,1-3H3
InChIKeyKZWCRORYHVECDU-UHFFFAOYSA-N
XLogP1.33
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate (CID 16802432) is methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate is CCOc1nn(CC)cc1C(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is KZWCRORYHVECDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-18-10-12(13(16-18)22-5-2)14(19)17-8-6-11(7-9-17)15(20)21-3/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-ethoxy-1-ethylpyrazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 16802432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).