1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone

C12H18N2OS — CID 115273030

IUPAC1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1CC(=O)N1CCNCC1C
InChIInChI=1S/C12H18N2OS/c1-9-3-6-16-11(9)7-12(15)14-5-4-13-8-10(14)2/h3,6,10,13H,4-5,7-8H2,1-2H3
InChIKeyOJDPHONWHXWXHZ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.42
Rot. Bonds2

About 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone

1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone (PubChem CID 115273030) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
PubChem CID115273030
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone
SMILESCc1ccsc1CC(=O)N1CCNCC1C
InChIInChI=1S/C12H18N2OS/c1-9-3-6-16-11(9)7-12(15)14-5-4-13-8-10(14)2/h3,6,10,13H,4-5,7-8H2,1-2H3
InChIKeyOJDPHONWHXWXHZ-UHFFFAOYSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119471680
2-(5-methyl-1,2-oxazol-3-yl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119470790
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
2-(5,6-dimethyl-1-benzofuran-3-yl)-1-(2-methylpiperazin-1-yl)ethanone
CID 119470384
3-(3-methylthiophen-2-yl)-1-piperazin-1-ylpropan-1-one
CID 82511099
3-(4-methylphenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82705117
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
CID 119471466

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
The IUPAC name of 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone (CID 115273030) is 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
The canonical SMILES for 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone is Cc1ccsc1CC(=O)N1CCNCC1C.
What is the InChIKey of 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
The InChIKey is OJDPHONWHXWXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-3-6-16-11(9)7-12(15)14-5-4-13-8-10(14)2/h3,6,10,13H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone?
1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone has a molecular weight of 238.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperazin-1-yl)-2-(3-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 115273030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).