3-(piperidin-3-ylmethyl)pyrimidin-4-one

C10H15N3O — CID 63769705

IUPAC3-(piperidin-3-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CCCNC1
InChIInChI=1S/C10H15N3O/c14-10-3-5-12-8-13(10)7-9-2-1-4-11-6-9/h3,5,8-9,11H,1-2,4,6-7H2
InChIKeyJCEFFXXBKQJVOL-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.24
Rot. Bonds2

About 3-(piperidin-3-ylmethyl)pyrimidin-4-one

3-(piperidin-3-ylmethyl)pyrimidin-4-one (PubChem CID 63769705) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)pyrimidin-4-one
PubChem CID63769705
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(piperidin-3-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1CC1CCCNC1
InChIInChI=1S/C10H15N3O/c14-10-3-5-12-8-13(10)7-9-2-1-4-11-6-9/h3,5,8-9,11H,1-2,4,6-7H2
InChIKeyJCEFFXXBKQJVOL-UHFFFAOYSA-N
XLogP0.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(piperidin-3-ylmethyl)pyrimidin-4-one (CID 63769705) is 3-(piperidin-3-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(piperidin-3-ylmethyl)pyrimidin-4-one is O=c1ccncn1CC1CCCNC1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)pyrimidin-4-one?
The InChIKey is JCEFFXXBKQJVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10-3-5-12-8-13(10)7-9-2-1-4-11-6-9/h3,5,8-9,11H,1-2,4,6-7H2.
What are the key properties of 3-(piperidin-3-ylmethyl)pyrimidin-4-one?
3-(piperidin-3-ylmethyl)pyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 63769705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).