1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one

C15H14N2O2S — CID 162624809

IUPAC1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCN(c2cc3ccccc3s2)C(=O)C1
InChIInChI=1S/C15H14N2O2S/c1-2-13(18)16-7-8-17(14(19)10-16)15-9-11-5-3-4-6-12(11)20-15/h2-6,9H,1,7-8,10H2
InChIKeyVZUREWASKKZXKS-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.26
Rot. Bonds2

About 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one

1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one (PubChem CID 162624809) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one
PubChem CID162624809
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one
SMILESC=CC(=O)N1CCN(c2cc3ccccc3s2)C(=O)C1
InChIInChI=1S/C15H14N2O2S/c1-2-13(18)16-7-8-17(14(19)10-16)15-9-11-5-3-4-6-12(11)20-15/h2-6,9H,1,7-8,10H2
InChIKeyVZUREWASKKZXKS-UHFFFAOYSA-N
XLogP2.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-Acetylpiperazin-1-yl)-2-(1-benzothiophen-5-ylamino)ethanone
CID 56810624
1-N-(1-benzothiophen-2-yl)piperidine-1,4-dicarboxamide
CID 2811439
1-(1-Benzothiophen-2-yl)-3-methylidenepyrrolidin-2-one
CID 178317937
1-(1-Benzothiophen-2-yl)piperidine
CID 281091
1-(Benzothiophen-2-yl)piperazine
CID 19064974
Tert-butyl 4-(benzo[b]thiophen-2-yl)-3-oxopiperazine-1-carboxylate
CID 162624834
1-(1-Benzothiophen-2-yl)-3-methylimidazolidin-2-one
CID 166448668
N-acetyl-N-[4-[4-(6-fluoro-1-benzothiophen-2-yl)piperazin-1-yl]butyl]-2-methylpropanamide
CID 70200368
4-(2-Fluoro-1-benzothiophen-4-yl)piperazin-2-one
CID 150468595
ethyl N-(1-benzothiophen-2-yl)-N-prop-2-enylcarbamate
CID 12187487
3-(4-Acetylpiperazino)-2-phenyl-benzo(b)thiophene
CID 15700644
1-(Benzothiophen-2-yl)piperazine hydrochloride
CID 19064973

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one?
The IUPAC name of 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one (CID 162624809) is 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one is C=CC(=O)N1CCN(c2cc3ccccc3s2)C(=O)C1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one?
The InChIKey is VZUREWASKKZXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-13(18)16-7-8-17(14(19)10-16)15-9-11-5-3-4-6-12(11)20-15/h2-6,9H,1,7-8,10H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one?
1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one has a molecular weight of 286.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-4-prop-2-enoylpiperazin-2-one is sourced from PubChem (CID 162624809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).