[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride

C17H24ClN3OS — CID 120858098

IUPAC[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
SMILESCC(C)(N)CN1CCN(C(=O)c2cc3ccccc3s2)CC1.Cl
InChIInChI=1S/C17H23N3OS.ClH/c1-17(2,18)12-19-7-9-20(10-8-19)16(21)15-11-13-5-3-4-6-14(13)22-15;/h3-6,11H,7-10,12,18H2,1-2H3;1H
InChIKeyTZQSBTJUXWNNBL-UHFFFAOYSA-N
MW353.92 g/mol
LogP2.82
Rot. Bonds3

About [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride

[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride (PubChem CID 120858098) has the molecular formula C17H24ClN3OS and a molecular weight of 353.92 g/mol. Its IUPAC name is [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
PubChem CID120858098
Molecular FormulaC17H24ClN3OS
Molecular Weight353.92 g/mol
Exact Mass353.13
IUPAC Name[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
SMILESCC(C)(N)CN1CCN(C(=O)c2cc3ccccc3s2)CC1.Cl
InChIInChI=1S/C17H23N3OS.ClH/c1-17(2,18)12-19-7-9-20(10-8-19)16(21)15-11-13-5-3-4-6-14(13)22-15;/h3-6,11H,7-10,12,18H2,1-2H3;1H
InChIKeyTZQSBTJUXWNNBL-UHFFFAOYSA-N
XLogP2.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-2-yl-[4-(2-bromoethyl)piperazin-1-yl]methanone
CID 80660821
1-benzothiophen-2-yl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308320
4-(1-benzothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61407080
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone;hydrochloride
CID 120847972
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-benzothiophen-2-yl)methanone
CID 120905600
1-benzothiophen-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 7578142
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8749038
1-benzothiophen-2-yl-[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95613755
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
1-benzothiophen-2-yl-[4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336725
1-benzothiophen-2-yl-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 69201847

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride (CID 120858098) is [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride is CC(C)(N)CN1CCN(C(=O)c2cc3ccccc3s2)CC1.Cl.
What is the InChIKey of [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride?
The InChIKey is TZQSBTJUXWNNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS.ClH/c1-17(2,18)12-19-7-9-20(10-8-19)16(21)15-11-13-5-3-4-6-14(13)22-15;/h3-6,11H,7-10,12,18H2,1-2H3;1H.
What are the key properties of [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride?
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-2-methylpropyl)piperazin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride is sourced from PubChem (CID 120858098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).