5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one

C11H17N3O — CID 82395604

IUPAC5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one
SMILESCCc1cnc(=O)[nH]c1C1CCNCC1
InChIInChI=1S/C11H17N3O/c1-2-8-7-13-11(15)14-10(8)9-3-5-12-6-4-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyIYABNOXYTBESHP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.80
Rot. Bonds2

About 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one

5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one (PubChem CID 82395604) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one
PubChem CID82395604
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one
SMILESCCc1cnc(=O)[nH]c1C1CCNCC1
InChIInChI=1S/C11H17N3O/c1-2-8-7-13-11(15)14-10(8)9-3-5-12-6-4-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyIYABNOXYTBESHP-UHFFFAOYSA-N
XLogP0.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-5-[(methoxyamino)methyl]-1H-pyrimidin-2-one
CID 82657252
2-(azepan-4-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84686967
5-ethyl-2-piperidin-4-ylpyrimidine
CID 83697990
(1S)-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),5-dien-4-one
CID 89408127
5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride
CID 162339550
4-(3-ethylthiophen-2-yl)piperidine
CID 82399934
4-ethyl-5-pyrrolidin-3-yl-1,2-oxazole
CID 82414141
2-(azetidin-3-yl)-5-ethyl-1H-pyrimidin-6-one
CID 84656987
4-(5-methyl-1H-imidazol-2-yl)piperidine
CID 22096510
ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate
CID 165350016
2-(6-ethyl-2-oxo-1H-pyrimidin-5-yl)acetonitrile
CID 84764594
4-ethyl-6-piperidin-4-ylpyrimidine
CID 83847190

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one?
The IUPAC name of 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one (CID 82395604) is 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one?
The canonical SMILES for 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one is CCc1cnc(=O)[nH]c1C1CCNCC1.
What is the InChIKey of 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one?
The InChIKey is IYABNOXYTBESHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-8-7-13-11(15)14-10(8)9-3-5-12-6-4-9/h7,9,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one?
5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-piperidin-4-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 82395604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).