1-(2-piperidin-3-ylethyl)pyrimidin-2-one

C11H17N3O — CID 62355658

IUPAC1-(2-piperidin-3-ylethyl)pyrimidin-2-one
SMILESO=c1ncccn1CCC1CCCNC1
InChIInChI=1S/C11H17N3O/c15-11-13-6-2-7-14(11)8-4-10-3-1-5-12-9-10/h2,6-7,10,12H,1,3-5,8-9H2
InChIKeyREAPULOIXAEAKS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.63
Rot. Bonds3

About 1-(2-piperidin-3-ylethyl)pyrimidin-2-one

1-(2-piperidin-3-ylethyl)pyrimidin-2-one (PubChem CID 62355658) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylethyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(2-piperidin-3-ylethyl)pyrimidin-2-one
PubChem CID62355658
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2-piperidin-3-ylethyl)pyrimidin-2-one
SMILESO=c1ncccn1CCC1CCCNC1
InChIInChI=1S/C11H17N3O/c15-11-13-6-2-7-14(11)8-4-10-3-1-5-12-9-10/h2,6-7,10,12H,1,3-5,8-9H2
InChIKeyREAPULOIXAEAKS-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 1-(2-piperidin-3-ylethyl)pyrimidin-2-one?
The IUPAC name of 1-(2-piperidin-3-ylethyl)pyrimidin-2-one (CID 62355658) is 1-(2-piperidin-3-ylethyl)pyrimidin-2-one.
What is the SMILES notation for 1-(2-piperidin-3-ylethyl)pyrimidin-2-one?
The canonical SMILES for 1-(2-piperidin-3-ylethyl)pyrimidin-2-one is O=c1ncccn1CCC1CCCNC1.
What is the InChIKey of 1-(2-piperidin-3-ylethyl)pyrimidin-2-one?
The InChIKey is REAPULOIXAEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-13-6-2-7-14(11)8-4-10-3-1-5-12-9-10/h2,6-7,10,12H,1,3-5,8-9H2.
What are the key properties of 1-(2-piperidin-3-ylethyl)pyrimidin-2-one?
1-(2-piperidin-3-ylethyl)pyrimidin-2-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 1-(2-piperidin-3-ylethyl)pyrimidin-2-one is sourced from PubChem (CID 62355658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).