1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione

C19H22N2O3S — CID 2711911

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)CCC(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O3S/c1-24-17-6-3-2-5-15(17)20-10-12-21(13-11-20)19(23)9-8-16(22)18-7-4-14-25-18/h2-7,14H,8-13H2,1H3
InChIKeyVSNVSDNZELBKCR-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.07
Rot. Bonds6

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione

1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione (PubChem CID 2711911) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
PubChem CID2711911
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
SMILESCOc1ccccc1N1CCN(C(=O)CCC(=O)c2cccs2)CC1
InChIInChI=1S/C19H22N2O3S/c1-24-17-6-3-2-5-15(17)20-10-12-21(13-11-20)19(23)9-8-16(22)18-7-4-14-25-18/h2-7,14H,8-13H2,1H3
InChIKeyVSNVSDNZELBKCR-UHFFFAOYSA-N
XLogP3.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
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}-pyrrolidin-2-one
CID 18738386
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
Azepan-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
CID 45262082
3,4-Dihydro-2-[4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl]-6-(2-thienyl)isoquinolin-1(2H)-one
CID 46893146
2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3,4,5-tetrahydro-7-(2-thienyl)benzo[c]azepin-1-one
CID 54581964
N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 71659909
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 10473483

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione (CID 2711911) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione is COc1ccccc1N1CCN(C(=O)CCC(=O)c2cccs2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione?
The InChIKey is VSNVSDNZELBKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-24-17-6-3-2-5-15(17)20-10-12-21(13-11-20)19(23)9-8-16(22)18-7-4-14-25-18/h2-7,14H,8-13H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione has a molecular weight of 358.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione is sourced from PubChem (CID 2711911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).