(4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C17H21N3OS — CID 16573255

IUPAC(4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(c3ccccn3)CC2)sc1C
InChIInChI=1S/C17H21N3OS/c1-3-14-12-15(22-13(14)2)17(21)20-10-8-19(9-11-20)16-6-4-5-7-18-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyJSRIXEZLYJIODV-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.98
Rot. Bonds3

About (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 16573255) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID16573255
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCN(c3ccccn3)CC2)sc1C
InChIInChI=1S/C17H21N3OS/c1-3-14-12-15(22-13(14)2)17(21)20-10-8-19(9-11-20)16-6-4-5-7-18-16/h4-7,12H,3,8-11H2,1-2H3
InChIKeyJSRIXEZLYJIODV-UHFFFAOYSA-N
XLogP2.98
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 16573255) is (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCc1cc(C(=O)N2CCN(c3ccccn3)CC2)sc1C.
What is the InChIKey of (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JSRIXEZLYJIODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-3-14-12-15(22-13(14)2)17(21)20-10-8-19(9-11-20)16-6-4-5-7-18-16/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-5-methylthiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 16573255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).