N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride

C20H26ClN3O3S — CID 120733950

IUPACN-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CC(NC(C)=O)c1cccs1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14(24)22-16(19-8-5-11-27-19)12-20(25)23-10-9-21-13-17(23)15-6-3-4-7-18(15)26-2;/h3-8,11,16-17,21H,9-10,12-13H2,1-2H3,(H,22,24);1H
InChIKeySNSRSQDOLGKQLC-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.92
Rot. Bonds6

About N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride

N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride (PubChem CID 120733950) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride
PubChem CID120733950
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)CC(NC(C)=O)c1cccs1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14(24)22-16(19-8-5-11-27-19)12-20(25)23-10-9-21-13-17(23)15-6-3-4-7-18(15)26-2;/h3-8,11,16-17,21H,9-10,12-13H2,1-2H3,(H,22,24);1H
InChIKeySNSRSQDOLGKQLC-UHFFFAOYSA-N
XLogP2.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 120802620
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one;hydrochloride
CID 120733635
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120734212
N-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120734581
[3-(2-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea;hydrochloride
CID 119471960
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 120734494
2-(1-benzothiophen-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733235
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 120733090
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione;hydrochloride
CID 120733120

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride (CID 120733950) is N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride is COc1ccccc1C1CNCCN1C(=O)CC(NC(C)=O)c1cccs1.Cl.
What is the InChIKey of N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride?
The InChIKey is SNSRSQDOLGKQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-14(24)22-16(19-8-5-11-27-19)12-20(25)23-10-9-21-13-17(23)15-6-3-4-7-18(15)26-2;/h3-8,11,16-17,21H,9-10,12-13H2,1-2H3,(H,22,24);1H.
What are the key properties of N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride?
N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide;hydrochloride is sourced from PubChem (CID 120733950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).