(E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one

C18H20N2O2S — CID 844383

IUPAC(E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccccc1N1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C18H20N2O2S/c1-22-17-7-3-2-6-16(17)19-10-12-20(13-11-19)18(21)9-8-15-5-4-14-23-15/h2-9,14H,10-13H2,1H3/b9-8+
InChIKeyQXVUREFSAZDTGS-CMDGGOBGSA-N
MW328.44 g/mol
LogP3.12
Rot. Bonds4

About (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one

(E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 844383) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
PubChem CID844383
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
SMILESCOc1ccccc1N1CCN(C(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C18H20N2O2S/c1-22-17-7-3-2-6-16(17)19-10-12-20(13-11-19)18(21)9-8-15-5-4-14-23-15/h2-9,14H,10-13H2,1H3/b9-8+
InChIKeyQXVUREFSAZDTGS-CMDGGOBGSA-N
XLogP3.12
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride
CID 10836245
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
CID 18738385
1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
CID 18738386
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-thiophen-2-ylprop-2-enamide;oxalic acid
CID 44350653
Azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 45262082
3-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzothiazol-2-one
CID 118713684
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
2-[(3-Methoxyphenyl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810018
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1520541

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one (CID 844383) is (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one is COc1ccccc1N1CCN(C(=O)/C=C/c2cccs2)CC1.
What is the InChIKey of (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is QXVUREFSAZDTGS-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-22-17-7-3-2-6-16(17)19-10-12-20(13-11-19)18(21)9-8-15-5-4-14-23-15/h2-9,14H,10-13H2,1H3/b9-8+.
What are the key properties of (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one?
(E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 328.44 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 844383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).