methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate

C15H23N3O3 — CID 66122706

IUPACmethyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate
SMILESCCc1cc(C(=O)N2CCCCC2CC(=O)OC)n(C)n1
InChIInChI=1S/C15H23N3O3/c1-4-11-9-13(17(2)16-11)15(20)18-8-6-5-7-12(18)10-14(19)21-3/h9,12H,4-8,10H2,1-3H3
InChIKeyAITVWKBWULYRQG-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.54
Rot. Bonds4

About methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate (PubChem CID 66122706) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate
PubChem CID66122706
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate
SMILESCCc1cc(C(=O)N2CCCCC2CC(=O)OC)n(C)n1
InChIInChI=1S/C15H23N3O3/c1-4-11-9-13(17(2)16-11)15(20)18-8-6-5-7-12(18)10-14(19)21-3/h9,12H,4-8,10H2,1-3H3
InChIKeyAITVWKBWULYRQG-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029176
methyl 2-[1-(3,5-dibromobenzoyl)piperidin-2-yl]acetate
CID 103908243
[2-(2-bromopropyl)pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 112748457
methyl 2-[1-(2-methyltriazole-4-carbonyl)piperidin-2-yl]acetate
CID 114284658
1-[1-(1,3-diethylpyrazole-5-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79541209
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperidin-2-yl]acetate
CID 78901742
ethyl 1-(3-ethyl-1-methylpyrazole-5-carbonyl)pyrrolidine-2-carboxylate
CID 66120366
methyl 2-[1-(5-methylfuran-3-carbonyl)piperidin-2-yl]acetate
CID 114822101
(3-ethyl-1-methylpyrazol-5-yl)-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 136558207
1-(3-ethyl-1-methylpyrazole-5-carbonyl)-3-methylpiperidine-2-carboxylic acid
CID 107069278
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[(2R)-1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]acetate
CID 93436463

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate (CID 66122706) is methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate is CCc1cc(C(=O)N2CCCCC2CC(=O)OC)n(C)n1.
What is the InChIKey of methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate?
The InChIKey is AITVWKBWULYRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11-9-13(17(2)16-11)15(20)18-8-6-5-7-12(18)10-14(19)21-3/h9,12H,4-8,10H2,1-3H3.
What are the key properties of methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate has a molecular weight of 293.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 66122706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).