[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone

C13H20N2O2S — CID 124590377

IUPAC[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone
SMILESCOc1cc(C)sc1C(=O)N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C13H20N2O2S/c1-8-6-15(7-9(2)14-8)13(16)12-11(17-4)5-10(3)18-12/h5,8-9,14H,6-7H2,1-4H3/t8-,9+
InChIKeyGRHRFAMUMOUJIA-DTORHVGOSA-N
MW268.38 g/mol
LogP1.89
Rot. Bonds2

About [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone

[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone (PubChem CID 124590377) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone
PubChem CID124590377
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone
SMILESCOc1cc(C)sc1C(=O)N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C13H20N2O2S/c1-8-6-15(7-9(2)14-8)13(16)12-11(17-4)5-10(3)18-12/h5,8-9,14H,6-7H2,1-4H3/t8-,9+
InChIKeyGRHRFAMUMOUJIA-DTORHVGOSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

(3-methoxy-5-methylthiophen-2-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995788
(3,5-dimethoxy-4-methylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564733
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119564338
[(3R,4R)-4-ethyl-3,4-dihydroxypiperidin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 70772159
(4-benzylpiperidin-1-yl)-(3-methoxy-5-methylthiophen-2-yl)methanone
CID 68628444
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 124590484
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(difluoromethoxy)-5-methylthiophen-2-yl]methanone
CID 120657272
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578955
3-methoxy-5-methylthiophene-2-carbonyl chloride
CID 45081654
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064090
3-methoxy-5-methyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 119453724

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone (CID 124590377) is [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone is COc1cc(C)sc1C(=O)N1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone?
The InChIKey is GRHRFAMUMOUJIA-DTORHVGOSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-8-6-15(7-9(2)14-8)13(16)12-11(17-4)5-10(3)18-12/h5,8-9,14H,6-7H2,1-4H3/t8-,9+.
What are the key properties of [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone?
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone has a molecular weight of 268.38 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperazin-1-yl]-(3-methoxy-5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 124590377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).