cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone

C16H22N2OS — CID 86793524

IUPACcyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccsc1)N1CCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C16H22N2OS/c1-13(15-6-11-20-12-15)17-7-9-18(10-8-17)16(19)14-4-2-3-5-14/h2-3,6,11-14H,4-5,7-10H2,1H3
InChIKeyQHNAJOIQAHBAFG-UHFFFAOYSA-N
MW290.43 g/mol
LogP2.92
Rot. Bonds3

About cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone

cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone (PubChem CID 86793524) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
PubChem CID86793524
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Namecyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
SMILESCC(c1ccsc1)N1CCN(C(=O)C2CC=CC2)CC1
InChIInChI=1S/C16H22N2OS/c1-13(15-6-11-20-12-15)17-7-9-18(10-8-17)16(19)14-4-2-3-5-14/h2-3,6,11-14H,4-5,7-10H2,1H3
InChIKeyQHNAJOIQAHBAFG-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581
oxan-3-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 91660630
(2S)-3-methoxy-2-methyl-1-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]propan-1-one
CID 99625769
2-(4-hydroxyphenyl)-1-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]ethanone
CID 86793513
(5-propan-2-yl-1,2-oxazol-3-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 75508127
(3-ethyl-4-pyridinyl)-[4-[(1R)-1-thiophen-3-ylethyl]piperazin-1-yl]methanone
CID 99627550
N-(2-propan-2-ylpyrazol-3-yl)-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308401
1-(1-thiophen-3-ylethyl)piperidin-4-amine
CID 62089674
N-(1,2-oxazol-3-yl)-4-(1-thiophen-3-ylethyl)piperazine-1-carboxamide
CID 131960827
1-[(1S)-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280726
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
(1-methyl-4H-pyrrolo[3,2-b]pyrrol-5-yl)-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone
CID 166268517

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone (CID 86793524) is cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone is CC(c1ccsc1)N1CCN(C(=O)C2CC=CC2)CC1.
What is the InChIKey of cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
The InChIKey is QHNAJOIQAHBAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-13(15-6-11-20-12-15)17-7-9-18(10-8-17)16(19)14-4-2-3-5-14/h2-3,6,11-14H,4-5,7-10H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone?
cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone has a molecular weight of 290.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 86793524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).