methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate

C14H21N3O3 — CID 169284591

IUPACmethyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C14H21N3O3/c1-10-8-12(15-16(10)2)14(19)17-6-4-11(5-7-17)9-13(18)20-3/h8,11H,4-7,9H2,1-3H3
InChIKeyNYJKZSLZPDBSDA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.14
Rot. Bonds3

About methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate

methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate (PubChem CID 169284591) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
PubChem CID169284591
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C(=O)c2cc(C)n(C)n2)CC1
InChIInChI=1S/C14H21N3O3/c1-10-8-12(15-16(10)2)14(19)17-6-4-11(5-7-17)9-13(18)20-3/h8,11H,4-7,9H2,1-3H3
InChIKeyNYJKZSLZPDBSDA-UHFFFAOYSA-N
XLogP1.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
[4-(2-bromoethoxy)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 114219198
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 130485656
[4-[(4-chlorotriazol-1-yl)methyl]piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 169284586
3-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941103
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
6-tert-butyl-2-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862256
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 119623043
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate (CID 169284591) is methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate is COC(=O)CC1CCN(C(=O)c2cc(C)n(C)n2)CC1.
What is the InChIKey of methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate?
The InChIKey is NYJKZSLZPDBSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-8-12(15-16(10)2)14(19)17-6-4-11(5-7-17)9-13(18)20-3/h8,11H,4-7,9H2,1-3H3.
What are the key properties of methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate?
methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]acetate is sourced from PubChem (CID 169284591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).