1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone

C11H16N2OS — CID 81427853

IUPAC1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
SMILESC[C@@H]1CN(C(=O)Cc2ccsc2)CCN1
InChIInChI=1S/C11H16N2OS/c1-9-7-13(4-3-12-9)11(14)6-10-2-5-15-8-10/h2,5,8-9,12H,3-4,6-7H2,1H3/t9-/m1/s1
InChIKeySPAACBSSNVKSAX-SECBINFHSA-N
MW224.33 g/mol
LogP1.11
Rot. Bonds2

About 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone

1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 81427853) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
PubChem CID81427853
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone
SMILESC[C@@H]1CN(C(=O)Cc2ccsc2)CCN1
InChIInChI=1S/C11H16N2OS/c1-9-7-13(4-3-12-9)11(14)6-10-2-5-15-8-10/h2,5,8-9,12H,3-4,6-7H2,1H3/t9-/m1/s1
InChIKeySPAACBSSNVKSAX-SECBINFHSA-N
XLogP1.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
2-(4-aminophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 122080587
2-(4-chlorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 81428539
1-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 94407469
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 62349580
1-[(3R)-3-methylpiperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 81426431
2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033
2-(2-hydroxyphenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81427817
2-(3,5-difluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]ethanone;hydrochloride
CID 176516377
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
1-[(3S)-3-methylpiperazin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 125134639
1-(azocan-1-yl)-2-thiophen-3-ylethanone
CID 112769654

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone (CID 81427853) is 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone is C[C@@H]1CN(C(=O)Cc2ccsc2)CCN1.
What is the InChIKey of 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is SPAACBSSNVKSAX-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-7-13(4-3-12-9)11(14)6-10-2-5-15-8-10/h2,5,8-9,12H,3-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone?
1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 224.33 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpiperazin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 81427853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).