1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone

C13H18N2O2S — CID 154870840

IUPAC1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2sccc2C)[C@H](C)C1
InChIInChI=1S/C13H18N2O2S/c1-9-4-7-18-12(9)13(17)15-6-5-14(11(3)16)8-10(15)2/h4,7,10H,5-6,8H2,1-3H3/t10-/m1/s1
InChIKeyCFIYDSOXGBMTMZ-SNVBAGLBSA-N
MW266.37 g/mol
LogP1.75
Rot. Bonds1

About 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone

1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 154870840) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID154870840
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2sccc2C)[C@H](C)C1
InChIInChI=1S/C13H18N2O2S/c1-9-4-7-18-12(9)13(17)15-6-5-14(11(3)16)8-10(15)2/h4,7,10H,5-6,8H2,1-3H3/t10-/m1/s1
InChIKeyCFIYDSOXGBMTMZ-SNVBAGLBSA-N
XLogP1.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-methyl-4-(3-methylthiophene-2-carbonyl)piperazine-1-carboxylate
CID 71634868
methyl 3-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanoate
CID 97333716
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(3-methylthiophene-2-carbonyl)piperazine-2-carboxylic acid
CID 66569646
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 154870837
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone
CID 66213343
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 154870840) is 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2sccc2C)[C@H](C)C1.
What is the InChIKey of 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is CFIYDSOXGBMTMZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-9-4-7-18-12(9)13(17)15-6-5-14(11(3)16)8-10(15)2/h4,7,10H,5-6,8H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone?
1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 266.37 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methyl-4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154870840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).