6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

C13H14ClN3O — CID 115054621

IUPAC6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNCC2)nc2cccc(Cl)n12
InChIInChI=1S/C13H14ClN3O/c14-11-2-1-3-12-16-10(8-13(18)17(11)12)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2
InChIKeyGIWDONKFKBFVEY-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.81
Rot. Bonds1

About 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one

6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 115054621) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID115054621
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(C2CCNCC2)nc2cccc(Cl)n12
InChIInChI=1S/C13H14ClN3O/c14-11-2-1-3-12-16-10(8-13(18)17(11)12)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2
InChIKeyGIWDONKFKBFVEY-UHFFFAOYSA-N
XLogP1.81
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053152
8-fluoro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 115054721
3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054586
5-chloro-3-piperidin-4-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252845
3-chloro-5-piperidin-4-ylimidazo[1,2-a]pyridine
CID 83842070
5-piperidin-4-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 105473879
5-(azepan-4-yl)-3-chloro-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 45168309
5-methyl-3-(6-piperidin-4-yl-2-pyridinyl)-1,3-oxazolidin-2-one
CID 110099061
3,5-dimethyl-2-piperidin-4-ylimidazo[1,2-a]pyridine
CID 115037404
3-chloro-5-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 83838573
9-hydroxy-2-pyrrolidin-3-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038189
6-methoxy-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054631

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 115054621) is 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is O=c1cc(C2CCNCC2)nc2cccc(Cl)n12.
What is the InChIKey of 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GIWDONKFKBFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-2-1-3-12-16-10(8-13(18)17(11)12)9-4-6-15-7-5-9/h1-3,8-9,15H,4-7H2.
What are the key properties of 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one?
6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 263.73 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115054621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).