(4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone

C14H16N2OS2 — CID 2814290

IUPAC(4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1
InChIInChI=1S/C14H16N2OS2/c1-15-6-8-16(9-7-15)14(17)13-5-4-12(19-13)11-3-2-10-18-11/h2-5,10H,6-9H2,1H3
InChIKeyJRFKERTZTQWVKH-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.86
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone

(4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone (PubChem CID 2814290) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone
PubChem CID2814290
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name(4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1
InChIInChI=1S/C14H16N2OS2/c1-15-6-8-16(9-7-15)14(17)13-5-4-12(19-13)11-3-2-10-18-11/h2-5,10H,6-9H2,1H3
InChIKeyJRFKERTZTQWVKH-UHFFFAOYSA-N
XLogP2.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone (CID 2814290) is (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cccs3)s2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone?
The InChIKey is JRFKERTZTQWVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-15-6-8-16(9-7-15)14(17)13-5-4-12(19-13)11-3-2-10-18-11/h2-5,10H,6-9H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone?
(4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone has a molecular weight of 292.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(5-thiophen-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 2814290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).