1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone

C13H19N3O — CID 58567804

IUPAC1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
SMILESCCc1cnc(N2CCC(C(C)=O)CC2)nc1
InChIInChI=1S/C13H19N3O/c1-3-11-8-14-13(15-9-11)16-6-4-12(5-7-16)10(2)17/h8-9,12H,3-7H2,1-2H3
InChIKeyBRSWUFMVDRKLBC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.84
Rot. Bonds3

About 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone

1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone (PubChem CID 58567804) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
PubChem CID58567804
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone
SMILESCCc1cnc(N2CCC(C(C)=O)CC2)nc1
InChIInChI=1S/C13H19N3O/c1-3-11-8-14-13(15-9-11)16-6-4-12(5-7-16)10(2)17/h8-9,12H,3-7H2,1-2H3
InChIKeyBRSWUFMVDRKLBC-UHFFFAOYSA-N
XLogP1.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone (CID 58567804) is 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone is CCc1cnc(N2CCC(C(C)=O)CC2)nc1.
What is the InChIKey of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone?
The InChIKey is BRSWUFMVDRKLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-11-8-14-13(15-9-11)16-6-4-12(5-7-16)10(2)17/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone?
1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 58567804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).