(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone

C17H20N2OS — CID 17193912

IUPAC(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1scc(C(=O)N2CCN(c3ccccc3)CC2)c1C
InChIInChI=1S/C17H20N2OS/c1-13-14(2)21-12-16(13)17(20)19-10-8-18(9-11-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyWAQQYLCLMQLUAI-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.33
Rot. Bonds2

About (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone

(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 17193912) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID17193912
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1scc(C(=O)N2CCN(c3ccccc3)CC2)c1C
InChIInChI=1S/C17H20N2OS/c1-13-14(2)21-12-16(13)17(20)19-10-8-18(9-11-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyWAQQYLCLMQLUAI-UHFFFAOYSA-N
XLogP3.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(4,5-dimethylthiophen-3-yl)methanone
CID 1247359
(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 87011127
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247
(4,5-dimethylthiophen-3-yl)-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methanone
CID 84556493
3-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 25333485
(4-ethyl-5-methylthiophen-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 17217172
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
1-[3-(4-phenylpiperazine-1-carbonyl)indol-1-yl]ethanone
CID 113207871
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
1-benzothiophen-3-yl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 17191275
(4-phenylpiperazin-1-yl)-(5-propylthiophen-3-yl)methanone
CID 17193910

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 17193912) is (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1scc(C(=O)N2CCN(c3ccccc3)CC2)c1C.
What is the InChIKey of (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WAQQYLCLMQLUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-14(2)21-12-16(13)17(20)19-10-8-18(9-11-19)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 300.43 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 17193912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).