2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone

C19H25N3O3S — CID 119801171

IUPAC2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1
InChIInChI=1S/C19H25N3O3S/c1-14-15-5-3-4-6-16(15)26-18(14)19(24)22-10-8-21(9-11-22)17(23)13-20-7-12-25-2/h3-6,20H,7-13H2,1-2H3
InChIKeyVJBVXYIZVVGIFY-UHFFFAOYSA-N
MW375.49 g/mol
LogP1.73
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone

2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 119801171) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID119801171
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESCOCCNCC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1
InChIInChI=1S/C19H25N3O3S/c1-14-15-5-3-4-6-16(15)26-18(14)19(24)22-10-8-21(9-11-22)17(23)13-20-7-12-25-2/h3-6,20H,7-13H2,1-2H3
InChIKeyVJBVXYIZVVGIFY-UHFFFAOYSA-N
XLogP1.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(3-methyl-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate
CID 17436331
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119763349
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119727506
(3-methyl-1-benzothiophen-2-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78820246
3-amino-2-methyl-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 120501514
(3-methyl-1-benzothiophen-2-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 18121598
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 119333628
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 8966514
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 18204303
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-(2-methoxyethylamino)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 78912525

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 119801171) is 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone is COCCNCC(=O)N1CCN(C(=O)c2sc3ccccc3c2C)CC1.
What is the InChIKey of 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is VJBVXYIZVVGIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-14-15-5-3-4-6-16(15)26-18(14)19(24)22-10-8-21(9-11-22)17(23)13-20-7-12-25-2/h3-6,20H,7-13H2,1-2H3.
What are the key properties of 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 375.49 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119801171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).