1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C17H26N2O2S — CID 134057870

IUPAC1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1sc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1C
InChIInChI=1S/C17H26N2O2S/c1-6-13-12(2)11-14(22-13)15(20)18-7-9-19(10-8-18)16(21)17(3,4)5/h11H,6-10H2,1-5H3
InChIKeyGCJOXEBGUSMQGC-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.95
Rot. Bonds2

About 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134057870) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134057870
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCc1sc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1C
InChIInChI=1S/C17H26N2O2S/c1-6-13-12(2)11-14(22-13)15(20)18-7-9-19(10-8-18)16(21)17(3,4)5/h11H,6-10H2,1-5H3
InChIKeyGCJOXEBGUSMQGC-UHFFFAOYSA-N
XLogP2.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide
CID 55528101
[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 119645835
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 9327033
(5-ethyl-4-methylthiophen-2-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 24543644
(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900208
(5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308013
(5-ethyl-4-methylthiophen-2-yl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95615880
2-[1-(5-ethyl-4-methylthiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605779
tert-butyl 7-(5-ethyl-4-methylthiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 75458099
methyl 2-(2-chlorophenyl)-2-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]acetate
CID 55492463
(5-ethyl-4-methylthiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 24630486
(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934725

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 134057870) is 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CCc1sc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1C.
What is the InChIKey of 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is GCJOXEBGUSMQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-6-13-12(2)11-14(22-13)15(20)18-7-9-19(10-8-18)16(21)17(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 322.47 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134057870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).