5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one

C11H17N3O — CID 63205945

IUPAC5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
SMILESCc1cnc(=O)n(CC2CCCNC2)c1
InChIInChI=1S/C11H17N3O/c1-9-5-13-11(15)14(7-9)8-10-3-2-4-12-6-10/h5,7,10,12H,2-4,6,8H2,1H3
InChIKeyJGZMTBUIFVZCGJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.55
Rot. Bonds2

About 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one

5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one (PubChem CID 63205945) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
PubChem CID63205945
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one
SMILESCc1cnc(=O)n(CC2CCCNC2)c1
InChIInChI=1S/C11H17N3O/c1-9-5-13-11(15)14(7-9)8-10-3-2-4-12-6-10/h5,7,10,12H,2-4,6,8H2,1H3
InChIKeyJGZMTBUIFVZCGJ-UHFFFAOYSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(pyrrolidin-3-ylmethyl)pyrimidin-2-one
CID 63205847
3-[(4,5-diiodoimidazol-1-yl)methyl]piperidine
CID 130508481
3-[(4-methylimidazol-1-yl)methyl]azepane
CID 18712989
(3R)-3-[(2-ethylimidazol-1-yl)methyl]piperidine;dihydrochloride
CID 169424334
4-[5-methyl-1-(piperidin-3-ylmethyl)imidazol-2-yl]pyridine
CID 90488017
7-methyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 84793040
N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
4-methyl-N-(2-methylpyrimidin-5-yl)-2-oxo-1-(piperidin-3-ylmethyl)pyridine-3-carboxamide
CID 172665797
2-methoxy-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 79367324
7-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine;dihydrochloride
CID 121210532
5-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 63630057
2-(5-methylpyrimidin-2-yl)sulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 23590439

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one?
The IUPAC name of 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one (CID 63205945) is 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one is Cc1cnc(=O)n(CC2CCCNC2)c1.
What is the InChIKey of 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one?
The InChIKey is JGZMTBUIFVZCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-5-13-11(15)14(7-9)8-10-3-2-4-12-6-10/h5,7,10,12H,2-4,6,8H2,1H3.
What are the key properties of 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one?
5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(piperidin-3-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 63205945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).