1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone

C14H16N4O3S — CID 110396012

IUPAC1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1nnc(C(=O)N2CCN(C(=O)Cc3cccs3)CC2)o1
InChIInChI=1S/C14H16N4O3S/c1-10-15-16-13(21-10)14(20)18-6-4-17(5-7-18)12(19)9-11-3-2-8-22-11/h2-3,8H,4-7,9H2,1H3
InChIKeyXIPONDDVINZVGY-UHFFFAOYSA-N
MW320.37 g/mol
LogP0.97
Rot. Bonds3

About 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone

1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 110396012) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
PubChem CID110396012
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1nnc(C(=O)N2CCN(C(=O)Cc3cccs3)CC2)o1
InChIInChI=1S/C14H16N4O3S/c1-10-15-16-13(21-10)14(20)18-6-4-17(5-7-18)12(19)9-11-3-2-8-22-11/h2-3,8H,4-7,9H2,1H3
InChIKeyXIPONDDVINZVGY-UHFFFAOYSA-N
XLogP0.97
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 108536457
1-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802544
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
3,3-dimethyl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]butan-1-one
CID 110818286
1-[4-(2,6-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone
CID 108544530
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 70787649
2-(3,4-dimethoxyphenyl)-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364994
N-[4-[4-(2-thiophen-2-ylacetyl)piperazine-1-carbonyl]phenyl]acetamide
CID 110802540
1-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110366127
2-thiophen-2-yl-1-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110802602
1-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110802567

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone (CID 110396012) is 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone is Cc1nnc(C(=O)N2CCN(C(=O)Cc3cccs3)CC2)o1.
What is the InChIKey of 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is XIPONDDVINZVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-10-15-16-13(21-10)14(20)18-6-4-17(5-7-18)12(19)9-11-3-2-8-22-11/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 320.37 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 110396012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).