3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one

C17H23N5O3 — CID 91950875

IUPAC3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CC(C)CC(C)C3)c2=O)n1
InChIInChI=1S/C17H23N5O3/c1-11-6-12(2)9-22(8-11)15(23)4-5-21-10-18-7-14(17(21)24)16-19-13(3)20-25-16/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyLFEYQQMJYXCHNM-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.50
Rot. Bonds4

About 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one

3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one (PubChem CID 91950875) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
PubChem CID91950875
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CC(C)CC(C)C3)c2=O)n1
InChIInChI=1S/C17H23N5O3/c1-11-6-12(2)9-22(8-11)15(23)4-5-21-10-18-7-14(17(21)24)16-19-13(3)20-25-16/h7,10-12H,4-6,8-9H2,1-3H3
InChIKeyLFEYQQMJYXCHNM-UHFFFAOYSA-N
XLogP1.50
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 122164968
5-({4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl}carbonyl)-2-methylpyrimidin-4-ol
CID 72868566
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]propanamide
CID 91950819
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 91950824
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 91950858
N-cyclopropyl-N-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 91950869
1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 91950870
1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 91950871
5-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-(3-morpholin-4-yl-3-oxopropyl)pyrimidin-4-one
CID 91950872
5-(3-Methyl-1,2,4-oxadiazol-5-yl)-3-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-one
CID 91950873
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 91950878
3-[3-(4-Hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
CID 91950879

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
The IUPAC name of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one (CID 91950875) is 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
The canonical SMILES for 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one is Cc1noc(-c2cncn(CCC(=O)N3CC(C)CC(C)C3)c2=O)n1.
What is the InChIKey of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
The InChIKey is LFEYQQMJYXCHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-6-12(2)9-22(8-11)15(23)4-5-21-10-18-7-14(17(21)24)16-19-13(3)20-25-16/h7,10-12H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one has a molecular weight of 345.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one is sourced from PubChem (CID 91950875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).