ethane;piperazin-1-yl(thiophen-2-yl)methanone

C11H18N2OS — CID 142187928

IUPACethane;piperazin-1-yl(thiophen-2-yl)methanone
SMILESCC.O=C(c1cccs1)N1CCNCC1
InChIInChI=1S/C9H12N2OS.C2H6/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;1-2/h1-2,7,10H,3-6H2;1-2H3
InChIKeyHCXMPBGQUNYWJA-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.82
Rot. Bonds1

About ethane;piperazin-1-yl(thiophen-2-yl)methanone

ethane;piperazin-1-yl(thiophen-2-yl)methanone (PubChem CID 142187928) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is ethane;piperazin-1-yl(thiophen-2-yl)methanone.

Molecular Properties

Compound Nameethane;piperazin-1-yl(thiophen-2-yl)methanone
PubChem CID142187928
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Nameethane;piperazin-1-yl(thiophen-2-yl)methanone
SMILESCC.O=C(c1cccs1)N1CCNCC1
InChIInChI=1S/C9H12N2OS.C2H6/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;1-2/h1-2,7,10H,3-6H2;1-2H3
InChIKeyHCXMPBGQUNYWJA-UHFFFAOYSA-N
XLogP1.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[4-(azetidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 66203885
[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63141844
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
1-piperazin-1-yl-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119400033
1H-pyrrol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 110801970
[(2R)-2-methylpiperazin-1-yl]-thiophen-2-ylmethanone
CID 82705008

Frequently Asked Questions

What is the IUPAC name of ethane;piperazin-1-yl(thiophen-2-yl)methanone?
The IUPAC name of ethane;piperazin-1-yl(thiophen-2-yl)methanone (CID 142187928) is ethane;piperazin-1-yl(thiophen-2-yl)methanone.
What is the SMILES notation for ethane;piperazin-1-yl(thiophen-2-yl)methanone?
The canonical SMILES for ethane;piperazin-1-yl(thiophen-2-yl)methanone is CC.O=C(c1cccs1)N1CCNCC1.
What is the InChIKey of ethane;piperazin-1-yl(thiophen-2-yl)methanone?
The InChIKey is HCXMPBGQUNYWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS.C2H6/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11;1-2/h1-2,7,10H,3-6H2;1-2H3.
What are the key properties of ethane;piperazin-1-yl(thiophen-2-yl)methanone?
ethane;piperazin-1-yl(thiophen-2-yl)methanone has a molecular weight of 226.34 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperazin-1-yl(thiophen-2-yl)methanone is sourced from PubChem (CID 142187928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).