1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one

C16H20N4O2S — CID 136578933

IUPAC1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C16H20N4O2S/c21-15(13-20-6-2-5-17-16(20)22)19-10-8-18(9-11-19)7-4-14-3-1-12-23-14/h1-3,5-6,12H,4,7-11,13H2
InChIKeyOHTZDERTPREFPY-UHFFFAOYSA-N
MW332.43 g/mol
LogP0.69
Rot. Bonds5

About 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one

1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one (PubChem CID 136578933) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one
PubChem CID136578933
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one
SMILESO=C(Cn1cccnc1=O)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C16H20N4O2S/c21-15(13-20-6-2-5-17-16(20)22)19-10-8-18(9-11-19)7-4-14-3-1-12-23-14/h1-3,5-6,12H,4,7-11,13H2
InChIKeyOHTZDERTPREFPY-UHFFFAOYSA-N
XLogP0.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 78801508
1-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 63657793
2-[4-[2-(2-oxopyrimidin-1-yl)acetyl]-1,4-diazepan-1-yl]acetic acid
CID 62823744
1-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 47073365
2-(1-ethylpyrazol-3-yl)-1-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 136549871
imidazo[1,2-a]pyridin-6-yl-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56785307
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889
1-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 128950816
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
(1-methylpyrazol-4-yl)-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 56819060
1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110665574
1-[4-(2-phenoxyethyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110638111

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one (CID 136578933) is 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one is O=C(Cn1cccnc1=O)N1CCN(CCc2cccs2)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one?
The InChIKey is OHTZDERTPREFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c21-15(13-20-6-2-5-17-16(20)22)19-10-8-18(9-11-19)7-4-14-3-1-12-23-14/h1-3,5-6,12H,4,7-11,13H2.
What are the key properties of 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one?
1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one has a molecular weight of 332.43 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethyl]pyrimidin-2-one is sourced from PubChem (CID 136578933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).