cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H22N4O — CID 727067

IUPACcyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N4O/c20-14(13-5-2-1-3-6-13)18-9-11-19(12-10-18)15-16-7-4-8-17-15/h4,7-8,13H,1-3,5-6,9-12H2
InChIKeyZGPJSKIKWRVBTN-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.71
Rot. Bonds2

About cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 727067) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID727067
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Namecyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N4O/c20-14(13-5-2-1-3-6-13)18-9-11-19(12-10-18)15-16-7-4-8-17-15/h4,7-8,13H,1-3,5-6,9-12H2
InChIKeyZGPJSKIKWRVBTN-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 727067) is cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(C1CCCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZGPJSKIKWRVBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-14(13-5-2-1-3-6-13)18-9-11-19(12-10-18)15-16-7-4-8-17-15/h4,7-8,13H,1-3,5-6,9-12H2.
What are the key properties of cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 727067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).