5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride

C18H26ClN3O2S — CID 119392997

IUPAC5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc2sc(C(=O)NCCCN3CCNCC3)c(C)c2c1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-13-15-12-14(23-2)4-5-16(15)24-17(13)18(22)20-6-3-9-21-10-7-19-8-11-21;/h4-5,12,19H,3,6-11H2,1-2H3,(H,20,22);1H
InChIKeyAVKJMDNCULPGOV-UHFFFAOYSA-N
MW383.95 g/mol
LogP2.67
Rot. Bonds6

About 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride

5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 119392997) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID119392997
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCOc1ccc2sc(C(=O)NCCCN3CCNCC3)c(C)c2c1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-13-15-12-14(23-2)4-5-16(15)24-17(13)18(22)20-6-3-9-21-10-7-19-8-11-21;/h4-5,12,19H,3,6-11H2,1-2H3,(H,20,22);1H
InChIKeyAVKJMDNCULPGOV-UHFFFAOYSA-N
XLogP2.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-methyl-N-[2-(methylamino)ethyl]-1-benzothiophene-2-carboxamide
CID 119502573
2-bromo-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390862
2-(4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 119393111
5-methoxy-3-methyl-N-(pyrrolidin-2-ylmethyl)-1-benzothiophene-2-carboxamide
CID 119512740
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide;hydrochloride
CID 119997903
N-(3-amino-2-methylpropyl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119997904
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
4-methoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119392270
N-(1-amino-4-methylpentan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119587432
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119393671

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride (CID 119392997) is 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride is COc1ccc2sc(C(=O)NCCCN3CCNCC3)c(C)c2c1.Cl.
What is the InChIKey of 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is AVKJMDNCULPGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-13-15-12-14(23-2)4-5-16(15)24-17(13)18(22)20-6-3-9-21-10-7-19-8-11-21;/h4-5,12,19H,3,6-11H2,1-2H3,(H,20,22);1H.
What are the key properties of 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride?
5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-(3-piperazin-1-ylpropyl)-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119392997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).