2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one

C14H20N2O2 — CID 116680587

IUPAC2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
SMILESCCCOc1cncc(C(=O)C(C)C2CNC2)c1
InChIInChI=1S/C14H20N2O2/c1-3-4-18-13-5-11(6-16-9-13)14(17)10(2)12-7-15-8-12/h5-6,9-10,12,15H,3-4,7-8H2,1-2H3
InChIKeyVHZOJNUDBCXVGO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.91
Rot. Bonds6

About 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one

2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one (PubChem CID 116680587) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
PubChem CID116680587
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one
SMILESCCCOc1cncc(C(=O)C(C)C2CNC2)c1
InChIInChI=1S/C14H20N2O2/c1-3-4-18-13-5-11(6-16-9-13)14(17)10(2)12-7-15-8-12/h5-6,9-10,12,15H,3-4,7-8H2,1-2H3
InChIKeyVHZOJNUDBCXVGO-UHFFFAOYSA-N
XLogP1.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-1-(5-ethoxy-3-pyridinyl)propan-1-one
CID 116680661
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
2-methyl-1-(5-propoxy-3-pyridinyl)pentan-1-one
CID 115794017
2,2-difluoro-1-(5-propoxy-3-pyridinyl)ethanone
CID 112574299
2-hydroxy-2-methyl-1-(5-propoxy-3-pyridinyl)propan-1-one
CID 103446165
(4,4-difluorocyclohexyl)-(5-propoxy-3-pyridinyl)methanone
CID 105124282
2-hydroxy-2-phenyl-1-(5-propoxy-3-pyridinyl)ethanone
CID 103458173
2-(propan-2-ylamino)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116554859
piperidin-2-yl-(5-propoxy-3-pyridinyl)methanone
CID 116547773
2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
(1-ethoxycyclopentyl)-(5-propoxy-3-pyridinyl)methanone
CID 116747881
4-hydroxy-1-(5-propoxy-3-pyridinyl)butan-1-one
CID 106677594

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one (CID 116680587) is 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one is CCCOc1cncc(C(=O)C(C)C2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one?
The InChIKey is VHZOJNUDBCXVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-4-18-13-5-11(6-16-9-13)14(17)10(2)12-7-15-8-12/h5-6,9-10,12,15H,3-4,7-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one?
2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(5-propoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 116680587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).