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

C11H16N2OS — CID 97163371

IUPAC2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone
SMILESC[C@@H]1CNCCN1CC(=O)c1cccs1
InChIInChI=1S/C11H16N2OS/c1-9-7-12-4-5-13(9)8-10(14)11-3-2-6-15-11/h2-3,6,9,12H,4-5,7-8H2,1H3/t9-/m1/s1
InChIKeyGGBMKDSZQXAEOO-SECBINFHSA-N
MW224.33 g/mol
LogP1.22
Rot. Bonds3

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

2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone (PubChem CID 97163371) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone
PubChem CID97163371
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone
SMILESC[C@@H]1CNCCN1CC(=O)c1cccs1
InChIInChI=1S/C11H16N2OS/c1-9-7-12-4-5-13(9)8-10(14)11-3-2-6-15-11/h2-3,6,9,12H,4-5,7-8H2,1H3/t9-/m1/s1
InChIKeyGGBMKDSZQXAEOO-SECBINFHSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-[(2S)-2-methylpiperazin-1-yl]acetyl]thiophene-2-carbohydrazide
CID 82756313
[(2S)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705304
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008
2-(3-methylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 43796416
2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62673320
2-(2-methylpiperazin-1-yl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 62674229
2-(2-methylpiperazin-1-yl)-1-(4-phenylperoxyphenyl)ethanone
CID 155756342
2-(2-methylpiperazin-1-yl)-1-[4-(2-phenylhydrazinyl)phenyl]ethanone
CID 155756355
2-(1,4-diazepan-1-yl)-1-thiophen-2-ylethanone;hydrochloride
CID 71645016
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-thiophen-2-ylethanone
CID 43228899

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone (CID 97163371) is 2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone is C[C@@H]1CNCCN1CC(=O)c1cccs1.
What is the InChIKey of 2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone?
The InChIKey is GGBMKDSZQXAEOO-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-9-7-12-4-5-13(9)8-10(14)11-3-2-6-15-11/h2-3,6,9,12H,4-5,7-8H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone?
2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone has a molecular weight of 224.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylpiperazin-1-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 97163371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).