3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C14H18N4O4 — CID 121156715

IUPAC3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)n(C)n1
InChIInChI=1S/C14H18N4O4/c1-9-7-11(16(2)15-9)13(20)17-5-3-10(4-6-17)18-12(19)8-22-14(18)21/h7,10H,3-6,8H2,1-2H3
InChIKeyMLUVXEZUOFIJHU-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.31
Rot. Bonds2

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

3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156715) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156715
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESCc1cc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)n(C)n1
InChIInChI=1S/C14H18N4O4/c1-9-7-11(16(2)15-9)13(20)17-5-3-10(4-6-17)18-12(19)8-22-14(18)21/h7,10H,3-6,8H2,1-2H3
InChIKeyMLUVXEZUOFIJHU-UHFFFAOYSA-N
XLogP0.31
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(6-bromo-2-methylindazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156594
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 66126872
(2,5-dimethylpyrazol-3-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 66127135
3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156473
1-[4-(2,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110685852
4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629179
3-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156683
(2,5-dimethylpyrazol-3-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66128203
1-[1-[1-(2,5-dimethylpyrazole-3-carbonyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948200
(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647002
(2,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119402592
(3,5-dimethylpiperidin-1-yl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 56725204

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156715) is 3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is Cc1cc(C(=O)N2CCC(N3C(=O)COC3=O)CC2)n(C)n1.
What is the InChIKey of 3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is MLUVXEZUOFIJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-9-7-11(16(2)15-9)13(20)17-5-3-10(4-6-17)18-12(19)8-22-14(18)21/h7,10H,3-6,8H2,1-2H3.
What are the key properties of 3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 306.32 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).