4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one

C16H20N6O2S — CID 86923357

IUPAC4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CCN(c3ncnc4sccc34)CC2)CCN1
InChIInChI=1S/C16H20N6O2S/c23-13-9-22(3-2-17-13)14(24)10-20-4-6-21(7-5-20)15-12-1-8-25-16(12)19-11-18-15/h1,8,11H,2-7,9-10H2,(H,17,23)
InChIKeyULLJIUOGKGLXKT-UHFFFAOYSA-N
MW360.44 g/mol
LogP-0.23
Rot. Bonds3

About 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one

4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one (PubChem CID 86923357) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one
PubChem CID86923357
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN2CCN(c3ncnc4sccc34)CC2)CCN1
InChIInChI=1S/C16H20N6O2S/c23-13-9-22(3-2-17-13)14(24)10-20-4-6-21(7-5-20)15-12-1-8-25-16(12)19-11-18-15/h1,8,11H,2-7,9-10H2,(H,17,23)
InChIKeyULLJIUOGKGLXKT-UHFFFAOYSA-N
XLogP-0.23
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one with MolForge

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Related Compounds

4-thieno[2,3-d]pyrimidin-4-ylpiperazin-2-one
CID 9113696
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
1-(2-methylpiperidin-1-yl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 46571384
N-(cyclopropylmethyl)-N-methyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 87015920
1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)imidazolidin-2-one
CID 56815569
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163343513
2-(4-aminophenyl)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 119842582
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 78898373
2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
CID 63309935
(2R)-2-amino-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842603
4-[2-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]acetyl]piperazin-2-one
CID 56799956
2-(2-chlorophenyl)sulfanyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112814510

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one (CID 86923357) is 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one is O=C1CN(C(=O)CN2CCN(c3ncnc4sccc34)CC2)CCN1.
What is the InChIKey of 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one?
The InChIKey is ULLJIUOGKGLXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c23-13-9-22(3-2-17-13)14(24)10-20-4-6-21(7-5-20)15-12-1-8-25-16(12)19-11-18-15/h1,8,11H,2-7,9-10H2,(H,17,23).
What are the key properties of 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one?
4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one has a molecular weight of 360.44 g/mol, XLogP of -0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 86923357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).