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

C16H16N4O4S — CID 121156684

IUPAC3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C16H16N4O4S/c21-14-9-24-16(23)20(14)10-3-5-19(6-4-10)15(22)12-8-11(17-18-12)13-2-1-7-25-13/h1-2,7-8,10H,3-6,9H2,(H,17,18)
InChIKeyCBYLKTSJEIASPF-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.72
Rot. Bonds3

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

3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 121156684) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID121156684
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C16H16N4O4S/c21-14-9-24-16(23)20(14)10-3-5-19(6-4-10)15(22)12-8-11(17-18-12)13-2-1-7-25-13/h1-2,7-8,10H,3-6,9H2,(H,17,18)
InChIKeyCBYLKTSJEIASPF-UHFFFAOYSA-N
XLogP1.72
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

3-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728230
3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159966
1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355098
[4-(1-aminoethyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 119516719
[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 70848747
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120817636
N-benzyl-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 78887605
[4-(3-aminopropoxy)piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119661567
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 126854198
3-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156683
pyridin-3-yl-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20911024
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 90493607

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 121156684) is 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is O=C(c1cc(-c2cccs2)[nH]n1)N1CCC(N2C(=O)COC2=O)CC1.
What is the InChIKey of 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is CBYLKTSJEIASPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c21-14-9-24-16(23)20(14)10-3-5-19(6-4-10)15(22)12-8-11(17-18-12)13-2-1-7-25-13/h1-2,7-8,10H,3-6,9H2,(H,17,18).
What are the key properties of 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 360.40 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 121156684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).