1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone

C14H16N2OS — CID 138594047

IUPAC1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc3ccsc23)CC1
InChIInChI=1S/C14H16N2OS/c1-15-6-8-16(9-7-15)14(17)12-4-2-3-11-5-10-18-13(11)12/h2-5,10H,6-9H2,1H3
InChIKeyGHDXKYNDOPPXJP-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.29
Rot. Bonds1

About 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone

1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 138594047) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID138594047
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cccc3ccsc23)CC1
InChIInChI=1S/C14H16N2OS/c1-15-6-8-16(9-7-15)14(17)12-4-2-3-11-5-10-18-13(11)12/h2-5,10H,6-9H2,1H3
InChIKeyGHDXKYNDOPPXJP-UHFFFAOYSA-N
XLogP2.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-7-yl-(2-methyl-3-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 146457231
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
(2-iodo-3-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 103615023
[2-(4-methylpiperazine-1-carbonyl)phenyl] acetate
CID 3364614
(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 143389345
2-[2-(4-methylpiperazine-1-carbonyl)phenyl]acetic acid
CID 114199768
1-benzothiophen-7-yl-(1-methylcyclopentyl)methanone
CID 115791035
4-(1-benzothiophen-7-yl)-1-methylpiperidin-4-ol
CID 81142371
1-benzothiophen-7-yl-(2,2-dimethylcyclopropyl)methanone
CID 107003986
1H-indazol-7-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78847170
1-(1-benzothiophen-7-yl)-2-chloroethanone
CID 130948738

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone (CID 138594047) is 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cccc3ccsc23)CC1.
What is the InChIKey of 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is GHDXKYNDOPPXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-15-6-8-16(9-7-15)14(17)12-4-2-3-11-5-10-18-13(11)12/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone?
1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 260.36 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 138594047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).