1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

C11H16N2OS — CID 60655566

IUPAC1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h2-3,8H,4-7,9H2,1H3
InChIKeyPEHVQKQLQOREKN-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.41
Rot. Bonds2

About 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone

1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 60655566) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID60655566
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccs2)CC1
InChIInChI=1S/C11H16N2OS/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h2-3,8H,4-7,9H2,1H3
InChIKeyPEHVQKQLQOREKN-UHFFFAOYSA-N
XLogP1.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
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N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
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N,2,2-trimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 121446738
1-[(2e,4e,6e)-7-(2-Thienyl)-2,4,6-heptatrienoyl]piperidine
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2-Sulfanylidene-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
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Cyto9G3
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone (CID 60655566) is 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cccs2)CC1.
What is the InChIKey of 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is PEHVQKQLQOREKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-10(14)13-6-4-12(5-7-13)9-11-3-2-8-15-11/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone?
1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 224.33 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60655566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).