5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one

C17H21N3O4 — CID 70785291

IUPAC5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one
SMILESO=C(CCc1cc(=O)[nH]o1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C17H21N3O4/c21-16-9-14(24-19-16)5-6-17(22)20-8-2-4-15(11-20)23-12-13-3-1-7-18-10-13/h1,3,7,9-10,15H,2,4-6,8,11-12H2,(H,19,21)
InChIKeyAUZLEIUJQCTGAT-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.50
Rot. Bonds6

About 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one

5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one (PubChem CID 70785291) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one
PubChem CID70785291
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one
SMILESO=C(CCc1cc(=O)[nH]o1)N1CCCC(OCc2cccnc2)C1
InChIInChI=1S/C17H21N3O4/c21-16-9-14(24-19-16)5-6-17(22)20-8-2-4-15(11-20)23-12-13-3-1-7-18-10-13/h1,3,7,9-10,15H,2,4-6,8,11-12H2,(H,19,21)
InChIKeyAUZLEIUJQCTGAT-UHFFFAOYSA-N
XLogP1.50
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one (CID 70785291) is 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one is O=C(CCc1cc(=O)[nH]o1)N1CCCC(OCc2cccnc2)C1.
What is the InChIKey of 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one?
The InChIKey is AUZLEIUJQCTGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c21-16-9-14(24-19-16)5-6-17(22)20-8-2-4-15(11-20)23-12-13-3-1-7-18-10-13/h1,3,7,9-10,15H,2,4-6,8,11-12H2,(H,19,21).
What are the key properties of 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one?
5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one has a molecular weight of 331.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-oxo-3-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propyl]-1,2-oxazol-3-one is sourced from PubChem (CID 70785291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).