3-(2-piperidin-4-ylethyl)pyrimidin-4-one

C11H17N3O — CID 105061167

IUPAC3-(2-piperidin-4-ylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCC1CCNCC1
InChIInChI=1S/C11H17N3O/c15-11-3-7-13-9-14(11)8-4-10-1-5-12-6-2-10/h3,7,9-10,12H,1-2,4-6,8H2
InChIKeyMZQAQEKEIHJQQQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.63
Rot. Bonds3

About 3-(2-piperidin-4-ylethyl)pyrimidin-4-one

3-(2-piperidin-4-ylethyl)pyrimidin-4-one (PubChem CID 105061167) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(2-piperidin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-piperidin-4-ylethyl)pyrimidin-4-one
PubChem CID105061167
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(2-piperidin-4-ylethyl)pyrimidin-4-one
SMILESO=c1ccncn1CCC1CCNCC1
InChIInChI=1S/C11H17N3O/c15-11-3-7-13-9-14(11)8-4-10-1-5-12-6-2-10/h3,7,9-10,12H,1-2,4-6,8H2
InChIKeyMZQAQEKEIHJQQQ-UHFFFAOYSA-N
XLogP0.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 3-(2-piperidin-4-ylethyl)pyrimidin-4-one (CID 105061167) is 3-(2-piperidin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 3-(2-piperidin-4-ylethyl)pyrimidin-4-one is O=c1ccncn1CCC1CCNCC1.
What is the InChIKey of 3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
The InChIKey is MZQAQEKEIHJQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-3-7-13-9-14(11)8-4-10-1-5-12-6-2-10/h3,7,9-10,12H,1-2,4-6,8H2.
What are the key properties of 3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
3-(2-piperidin-4-ylethyl)pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperidin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 105061167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).