3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one

C16H15Cl2N3O2 — CID 155165313

IUPAC3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one
SMILESCc1nc(N2CCC(=O)CC2)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-10-19-14(20-7-5-11(22)6-8-20)9-15(23)21(10)13-4-2-3-12(17)16(13)18/h2-4,9H,5-8H2,1H3
InChIKeyKZLZXTSESAQJQO-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.02
Rot. Bonds2

About 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one

3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one (PubChem CID 155165313) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one
PubChem CID155165313
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one
SMILESCc1nc(N2CCC(=O)CC2)cc(=O)n1-c1cccc(Cl)c1Cl
InChIInChI=1S/C16H15Cl2N3O2/c1-10-19-14(20-7-5-11(22)6-8-20)9-15(23)21(10)13-4-2-3-12(17)16(13)18/h2-4,9H,5-8H2,1H3
InChIKeyKZLZXTSESAQJQO-UHFFFAOYSA-N
XLogP3.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one?
The IUPAC name of 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one (CID 155165313) is 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one?
The canonical SMILES for 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one is Cc1nc(N2CCC(=O)CC2)cc(=O)n1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one?
The InChIKey is KZLZXTSESAQJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c1-10-19-14(20-7-5-11(22)6-8-20)9-15(23)21(10)13-4-2-3-12(17)16(13)18/h2-4,9H,5-8H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one?
3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one has a molecular weight of 352.22 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-2-methyl-6-(4-oxopiperidin-1-yl)pyrimidin-4-one is sourced from PubChem (CID 155165313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).