[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone

C11H16N2OS — CID 81427148

IUPAC[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C11H16N2OS/c1-8-3-6-15-10(8)11(14)13-5-4-12-9(2)7-13/h3,6,9,12H,4-5,7H2,1-2H3/t9-/m1/s1
InChIKeyNUXQGRHLFBZLGD-SECBINFHSA-N
MW224.33 g/mol
LogP1.49
Rot. Bonds1

About [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone

[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 81427148) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID81427148
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCN[C@H](C)C1
InChIInChI=1S/C11H16N2OS/c1-8-3-6-15-10(8)11(14)13-5-4-12-9(2)7-13/h3,6,9,12H,4-5,7H2,1-2H3/t9-/m1/s1
InChIKeyNUXQGRHLFBZLGD-SECBINFHSA-N
XLogP1.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide
CID 119577922
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580886
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580885
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564
(3-methoxythiophen-2-yl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245290
(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
CID 119580143
(3-aminopyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638228
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3-methylthiophen-2-yl)methanone
CID 66213343
(3-methylpiperazin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65447853
[(3R)-3-methylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 81428397
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone (CID 81427148) is [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCN[C@H](C)C1.
What is the InChIKey of [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is NUXQGRHLFBZLGD-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-3-6-15-10(8)11(14)13-5-4-12-9(2)7-13/h3,6,9,12H,4-5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone?
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 224.33 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 81427148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).