1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone

C17H20N2O2S — CID 125026813

IUPAC1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)Cc2ccsc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-21-15-4-2-14(3-5-15)16-11-18-7-8-19(16)17(20)10-13-6-9-22-12-13/h2-6,9,12,16,18H,7-8,10-11H2,1H3/t16-/m0/s1
InChIKeyZWFWPGSTTGCYFQ-INIZCTEOSA-N
MW316.43 g/mol
LogP2.47
Rot. Bonds4

About 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone

1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 125026813) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
PubChem CID125026813
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
SMILESCOc1ccc([C@@H]2CNCCN2C(=O)Cc2ccsc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-21-15-4-2-14(3-5-15)16-11-18-7-8-19(16)17(20)10-13-6-9-22-12-13/h2-6,9,12,16,18H,7-8,10-11H2,1H3/t16-/m0/s1
InChIKeyZWFWPGSTTGCYFQ-INIZCTEOSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
CID 125022040
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
3-[2-[2-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 110109396
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 124958227
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 124983434

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone (CID 125026813) is 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone is COc1ccc([C@@H]2CNCCN2C(=O)Cc2ccsc2)cc1.
What is the InChIKey of 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is ZWFWPGSTTGCYFQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-21-15-4-2-14(3-5-15)16-11-18-7-8-19(16)17(20)10-13-6-9-22-12-13/h2-6,9,12,16,18H,7-8,10-11H2,1H3/t16-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone?
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 316.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 125026813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).