3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one

C11H17N3O — CID 126857502

IUPAC3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCCCC1Cn1cnccc1=O
InChIInChI=1S/C11H17N3O/c1-13-7-3-2-4-10(13)8-14-9-12-6-5-11(14)15/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyYPVZQINANKJRSX-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.73
Rot. Bonds2

About 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one

3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one (PubChem CID 126857502) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one
PubChem CID126857502
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one
SMILESCN1CCCCC1Cn1cnccc1=O
InChIInChI=1S/C11H17N3O/c1-13-7-3-2-4-10(13)8-14-9-12-6-5-11(14)15/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyYPVZQINANKJRSX-UHFFFAOYSA-N
XLogP0.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one (CID 126857502) is 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one is CN1CCCCC1Cn1cnccc1=O.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one?
The InChIKey is YPVZQINANKJRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-7-3-2-4-10(13)8-14-9-12-6-5-11(14)15/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one?
3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126857502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).