1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride

C10H16ClN3O — CID 158431188

IUPAC1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride
SMILESCl.Cn1cc(C2CCNCC2)cnc1=O
InChIInChI=1S/C10H15N3O.ClH/c1-13-7-9(6-12-10(13)14)8-2-4-11-5-3-8;/h6-8,11H,2-5H2,1H3;1H
InChIKeyZSBIAWFQPQSEGN-UHFFFAOYSA-N
MW229.71 g/mol
LogP0.67
Rot. Bonds1

About 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride

1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride (PubChem CID 158431188) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride
PubChem CID158431188
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride
SMILESCl.Cn1cc(C2CCNCC2)cnc1=O
InChIInChI=1S/C10H15N3O.ClH/c1-13-7-9(6-12-10(13)14)8-2-4-11-5-3-8;/h6-8,11H,2-5H2,1H3;1H
InChIKeyZSBIAWFQPQSEGN-UHFFFAOYSA-N
XLogP0.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride
CID 162339550
4-(5-bromo-1-methylpyrrol-3-yl)piperidine
CID 84703722
6-piperidin-4-ylimidazo[1,2-a]pyrimidine
CID 59627469
1-methyl-4-piperidin-4-ylpyridin-2-one
CID 59627486
4-(1-propylpyrazol-4-yl)azepane
CID 83261378
5-bromo-1-methyl-3-(4-piperidin-4-ylanilino)pyrazin-2-one
CID 58043745
5-piperidin-4-yl-2-pyrrolidin-1-ylpyridine;dihydrochloride
CID 163230170
7-methyl-2-piperidin-4-yl-1H-purin-6-one
CID 136922648
4-[1-(2-methylprop-2-enyl)pyrazol-4-yl]piperidine
CID 122240934
5-piperidin-4-yl-1H-pyrimidine-2-thione
CID 105449416
4-(4-methyl-1,2,4-triazol-3-yl)piperidine;hydrate;dihydrochloride
CID 75531205
4-(1,5-dimethylimidazol-4-yl)piperidine
CID 84657143

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride?
The IUPAC name of 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride (CID 158431188) is 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride?
The canonical SMILES for 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride is Cl.Cn1cc(C2CCNCC2)cnc1=O.
What is the InChIKey of 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride?
The InChIKey is ZSBIAWFQPQSEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.ClH/c1-13-7-9(6-12-10(13)14)8-2-4-11-5-3-8;/h6-8,11H,2-5H2,1H3;1H.
What are the key properties of 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride?
1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-piperidin-4-ylpyrimidin-2-one;hydrochloride is sourced from PubChem (CID 158431188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).