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

C12H18N2OS — CID 64979980

IUPAC(2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CC(C)NCC2C)s1
InChIInChI=1S/C12H18N2OS/c1-8-7-14(9(2)6-13-8)12(15)11-5-4-10(3)16-11/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyOAXAZGOXZYQDGT-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.88
Rot. Bonds1

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

(2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 64979980) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is (2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID64979980
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name(2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CC(C)NCC2C)s1
InChIInChI=1S/C12H18N2OS/c1-8-7-14(9(2)6-13-8)12(15)11-5-4-10(3)16-11/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyOAXAZGOXZYQDGT-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 (2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone (CID 64979980) is (2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CC(C)NCC2C)s1.
What is the InChIKey of (2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is OAXAZGOXZYQDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-7-14(9(2)6-13-8)12(15)11-5-4-10(3)16-11/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of (2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone?
(2,5-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 (2,5-dimethylpiperazin-1-yl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 64979980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).