ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate

C15H23N3O3 — CID 75925786

IUPACethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Cn1nc(C)cc1C
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)13-7-5-6-8-17(13)14(19)10-18-12(3)9-11(2)16-18/h9,13H,4-8,10H2,1-3H3
InChIKeyOAXUNARWZPCRTK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.44
Rot. Bonds4

About ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate

ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate (PubChem CID 75925786) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
PubChem CID75925786
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)Cn1nc(C)cc1C
InChIInChI=1S/C15H23N3O3/c1-4-21-15(20)13-7-5-6-8-17(13)14(19)10-18-12(3)9-11(2)16-18/h9,13H,4-8,10H2,1-3H3
InChIKeyOAXUNARWZPCRTK-UHFFFAOYSA-N
XLogP1.44
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 79833334
(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922396
ethyl 1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 78991936
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-2-carboxylate
CID 55432116
ethyl (2R)-1-[3-(2,4,6-trimethylphenyl)propanoyl]piperidine-2-carboxylate
CID 134999355
ethyl 1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 78915899
2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone
CID 136526405
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-butanoylpyrrolidine-2-carboxylate
CID 60528704
ethyl 1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylate
CID 78911693
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 55005608

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate (CID 75925786) is ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)Cn1nc(C)cc1C.
What is the InChIKey of ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate?
The InChIKey is OAXUNARWZPCRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-21-15(20)13-7-5-6-8-17(13)14(19)10-18-12(3)9-11(2)16-18/h9,13H,4-8,10H2,1-3H3.
What are the key properties of ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate?
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 75925786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).