5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C13H18N4O3 — CID 74228216

IUPAC5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(C(=O)c3cn[nH]c3)CC2)C(=O)O1
InChIInChI=1S/C13H18N4O3/c1-9-8-17(13(19)20-9)11-2-4-16(5-3-11)12(18)10-6-14-15-7-10/h6-7,9,11H,2-5,8H2,1H3,(H,14,15)
InChIKeyOUIVESRGBQYQPZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.86
Rot. Bonds2

About 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one

5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 74228216) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID74228216
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(C(=O)c3cn[nH]c3)CC2)C(=O)O1
InChIInChI=1S/C13H18N4O3/c1-9-8-17(13(19)20-9)11-2-4-16(5-3-11)12(18)10-6-14-15-7-10/h6-7,9,11H,2-5,8H2,1H3,(H,14,15)
InChIKeyOUIVESRGBQYQPZ-UHFFFAOYSA-N
XLogP0.86
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 3874973
(4-chloropiperidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63390634
(3-morpholin-4-ylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 63174828
1-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61019766
5-methyl-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3825192
4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4686292
[4-(hydroxymethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 43582926
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63250783
[4-(1-aminoethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63595151
[4-(ethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 60818050
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 114801677

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 74228216) is 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is CC1CN(C2CCN(C(=O)c3cn[nH]c3)CC2)C(=O)O1.
What is the InChIKey of 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is OUIVESRGBQYQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-8-17(13(19)20-9)11-2-4-16(5-3-11)12(18)10-6-14-15-7-10/h6-7,9,11H,2-5,8H2,1H3,(H,14,15).
What are the key properties of 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 278.31 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 74228216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).