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

C15H19N5O4 — CID 91950879

IUPAC3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCC(O)CC3)c2=O)n1
InChIInChI=1S/C15H19N5O4/c1-10-17-14(24-18-10)12-8-16-9-20(15(12)23)7-4-13(22)19-5-2-11(21)3-6-19/h8-9,11,21H,2-7H2,1H3
InChIKeyIBOOJYQCKULBRF-UHFFFAOYSA-N
MW333.35 g/mol
LogP-0.02
Rot. Bonds4

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

3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one (PubChem CID 91950879) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
PubChem CID91950879
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one
SMILESCc1noc(-c2cncn(CCC(=O)N3CCC(O)CC3)c2=O)n1
InChIInChI=1S/C15H19N5O4/c1-10-17-14(24-18-10)12-8-16-9-20(15(12)23)7-4-13(22)19-5-2-11(21)3-6-19/h8-9,11,21H,2-7H2,1H3
InChIKeyIBOOJYQCKULBRF-UHFFFAOYSA-N
XLogP-0.02
TPSA114.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
The IUPAC name of 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one (CID 91950879) is 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
The canonical SMILES for 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one is Cc1noc(-c2cncn(CCC(=O)N3CCC(O)CC3)c2=O)n1.
What is the InChIKey of 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
The InChIKey is IBOOJYQCKULBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-10-17-14(24-18-10)12-8-16-9-20(15(12)23)7-4-13(22)19-5-2-11(21)3-6-19/h8-9,11,21H,2-7H2,1H3.
What are the key properties of 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one?
3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one has a molecular weight of 333.35 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-one is sourced from PubChem (CID 91950879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).