1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone

C16H18N2OS — CID 125022040

IUPAC1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C16H18N2OS/c19-16(10-13-6-9-20-12-13)18-8-7-17-11-15(18)14-4-2-1-3-5-14/h1-6,9,12,15,17H,7-8,10-11H2/t15-/m0/s1
InChIKeyYNWNXJHCZVFXSQ-HNNXBMFYSA-N
MW286.40 g/mol
LogP2.46
Rot. Bonds3

About 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone

1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 125022040) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
PubChem CID125022040
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C16H18N2OS/c19-16(10-13-6-9-20-12-13)18-8-7-17-11-15(18)14-4-2-1-3-5-14/h1-6,9,12,15,17H,7-8,10-11H2/t15-/m0/s1
InChIKeyYNWNXJHCZVFXSQ-HNNXBMFYSA-N
XLogP2.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-thiophen-3-ylethanone
CID 125026813
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone;hydrochloride
CID 120739461
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
1-(2-phenylpiperazin-1-yl)propan-1-one
CID 73440047
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
4-oxo-4-(2-phenylpiperazin-1-yl)butanoic acid
CID 110481821
2-phenylpiperazine-1-carbonyl chloride
CID 154387784
1-(2-phenylpiperazin-1-yl)butane-1,3-dione
CID 110477449
2-phenoxy-1-(2-phenylpiperazin-1-yl)ethanone
CID 82251696
1-piperazin-1-yl-3-thiophen-3-ylpropan-2-one
CID 116559574
3-[2-oxo-2-(2-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 110109127
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone (CID 125022040) is 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CCNC[C@H]1c1ccccc1.
What is the InChIKey of 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is YNWNXJHCZVFXSQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N2OS/c19-16(10-13-6-9-20-12-13)18-8-7-17-11-15(18)14-4-2-1-3-5-14/h1-6,9,12,15,17H,7-8,10-11H2/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone?
1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 286.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-phenylpiperazin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 125022040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).