1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one

C17H26N4OS — CID 16677871

IUPAC1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one
SMILESCCSc1ncc(CN2CCN(C3CCCCC3)C(=O)C2)cn1
InChIInChI=1S/C17H26N4OS/c1-2-23-17-18-10-14(11-19-17)12-20-8-9-21(16(22)13-20)15-6-4-3-5-7-15/h10-11,15H,2-9,12-13H2,1H3
InChIKeyFWKFPLAOEYNEMA-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.57
Rot. Bonds5

About 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one

1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one (PubChem CID 16677871) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one
PubChem CID16677871
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one
SMILESCCSc1ncc(CN2CCN(C3CCCCC3)C(=O)C2)cn1
InChIInChI=1S/C17H26N4OS/c1-2-23-17-18-10-14(11-19-17)12-20-8-9-21(16(22)13-20)15-6-4-3-5-7-15/h10-11,15H,2-9,12-13H2,1H3
InChIKeyFWKFPLAOEYNEMA-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one (CID 16677871) is 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one is CCSc1ncc(CN2CCN(C3CCCCC3)C(=O)C2)cn1.
What is the InChIKey of 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one?
The InChIKey is FWKFPLAOEYNEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-2-23-17-18-10-14(11-19-17)12-20-8-9-21(16(22)13-20)15-6-4-3-5-7-15/h10-11,15H,2-9,12-13H2,1H3.
What are the key properties of 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one?
1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one has a molecular weight of 334.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 16677871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).