1-(2-pyrimidin-5-ylethyl)piperidin-4-one

C11H15N3O — CID 54052534

IUPAC1-(2-pyrimidin-5-ylethyl)piperidin-4-one
SMILESO=C1CCN(CCc2cncnc2)CC1
InChIInChI=1S/C11H15N3O/c15-11-2-5-14(6-3-11)4-1-10-7-12-9-13-8-10/h7-9H,1-6H2
InChIKeyLTXQVFDJCSAOSR-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.68
Rot. Bonds3

About 1-(2-pyrimidin-5-ylethyl)piperidin-4-one

1-(2-pyrimidin-5-ylethyl)piperidin-4-one (PubChem CID 54052534) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2-pyrimidin-5-ylethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-pyrimidin-5-ylethyl)piperidin-4-one
PubChem CID54052534
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(2-pyrimidin-5-ylethyl)piperidin-4-one
SMILESO=C1CCN(CCc2cncnc2)CC1
InChIInChI=1S/C11H15N3O/c15-11-2-5-14(6-3-11)4-1-10-7-12-9-13-8-10/h7-9H,1-6H2
InChIKeyLTXQVFDJCSAOSR-UHFFFAOYSA-N
XLogP0.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrimidin-5-ylethyl)piperidin-4-one?
The IUPAC name of 1-(2-pyrimidin-5-ylethyl)piperidin-4-one (CID 54052534) is 1-(2-pyrimidin-5-ylethyl)piperidin-4-one.
What is the SMILES notation for 1-(2-pyrimidin-5-ylethyl)piperidin-4-one?
The canonical SMILES for 1-(2-pyrimidin-5-ylethyl)piperidin-4-one is O=C1CCN(CCc2cncnc2)CC1.
What is the InChIKey of 1-(2-pyrimidin-5-ylethyl)piperidin-4-one?
The InChIKey is LTXQVFDJCSAOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11-2-5-14(6-3-11)4-1-10-7-12-9-13-8-10/h7-9H,1-6H2.
What are the key properties of 1-(2-pyrimidin-5-ylethyl)piperidin-4-one?
1-(2-pyrimidin-5-ylethyl)piperidin-4-one has a molecular weight of 205.26 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrimidin-5-ylethyl)piperidin-4-one is sourced from PubChem (CID 54052534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).