1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone

C15H16N2O2S — CID 47008432

IUPAC1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C15H16N2O2S/c1-11(18)16-6-8-17(9-7-16)15(19)14-10-12-4-2-3-5-13(12)20-14/h2-5,10H,6-9H2,1H3
InChIKeyKZFFDBLYLMFAKF-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.21
Rot. Bonds1

About 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone

1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 47008432) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID47008432
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1
InChIInChI=1S/C15H16N2O2S/c1-11(18)16-6-8-17(9-7-16)15(19)14-10-12-4-2-3-5-13(12)20-14/h2-5,10H,6-9H2,1H3
InChIKeyKZFFDBLYLMFAKF-UHFFFAOYSA-N
XLogP2.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 47008432) is 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1.
What is the InChIKey of 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KZFFDBLYLMFAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-11(18)16-6-8-17(9-7-16)15(19)14-10-12-4-2-3-5-13(12)20-14/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 288.37 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 47008432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).