(2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone

C12H18N2OS — CID 65462722

IUPAC(2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCNCC2(C)C)s1
InChIInChI=1S/C12H18N2OS/c1-9-4-5-10(16-9)11(15)14-7-6-13-8-12(14,2)3/h4-5,13H,6-8H2,1-3H3
InChIKeyFBWNIDLZRLROEO-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.88
Rot. Bonds1

About (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone

(2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 65462722) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID65462722
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCNCC2(C)C)s1
InChIInChI=1S/C12H18N2OS/c1-9-4-5-10(16-9)11(15)14-7-6-13-8-12(14,2)3/h4-5,13H,6-8H2,1-3H3
InChIKeyFBWNIDLZRLROEO-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone (CID 65462722) is (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCNCC2(C)C)s1.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is FBWNIDLZRLROEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-4-5-10(16-9)11(15)14-7-6-13-8-12(14,2)3/h4-5,13H,6-8H2,1-3H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
(2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 238.36 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 65462722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).