1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone

C15H18N2OS — CID 120571458

IUPAC1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2ccc3sccc3c2)C1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)17(7-6-16-10)15(18)13-3-4-14-12(9-13)5-8-19-14/h3-5,8-11,16H,6-7H2,1-2H3
InChIKeyICPUTXDSPPQDRA-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.72
Rot. Bonds1

About 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone

1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120571458) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120571458
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2ccc3sccc3c2)C1C
InChIInChI=1S/C15H18N2OS/c1-10-11(2)17(7-6-16-10)15(18)13-3-4-14-12(9-13)5-8-19-14/h3-5,8-11,16H,6-7H2,1-2H3
InChIKeyICPUTXDSPPQDRA-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-5-yl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119471361
(4-chloro-3-methylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120573035
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
7-(2,3-dimethylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 120570716
3-(2,3-dimethylpiperazine-1-carbonyl)-N-methylbenzamide;hydrochloride
CID 120569899
4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 120571641
[3-[(dimethylamino)methyl]phenyl]-(2,3-dimethylpiperazin-1-yl)methanone;dihydrochloride
CID 120571367

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone (CID 120571458) is 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)c2ccc3sccc3c2)C1C.
What is the InChIKey of 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is ICPUTXDSPPQDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-11(2)17(7-6-16-10)15(18)13-3-4-14-12(9-13)5-8-19-14/h3-5,8-11,16H,6-7H2,1-2H3.
What are the key properties of 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone?
1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 274.39 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-5-yl-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120571458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).