4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

C18H18N2O5 — CID 86265539

IUPAC4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)n1C
InChIInChI=1S/C18H18N2O5/c1-11-5-13(7-17(21)19(11)2)25-14-8-20(9-14)18(22)12-3-4-15-16(6-12)24-10-23-15/h3-7,14H,8-10H2,1-2H3
InChIKeyGBUOJEAMNAPHDX-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.33
Rot. Bonds3

About 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one

4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (PubChem CID 86265539) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
PubChem CID86265539
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
SMILESCc1cc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)n1C
InChIInChI=1S/C18H18N2O5/c1-11-5-13(7-17(21)19(11)2)25-14-8-20(9-14)18(22)12-3-4-15-16(6-12)24-10-23-15/h3-7,14H,8-10H2,1-2H3
InChIKeyGBUOJEAMNAPHDX-UHFFFAOYSA-N
XLogP1.33
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156367
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
CID 63107498
N-(1,3-benzodioxol-5-yl)-3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carboxamide
CID 121156093
1,3-benzodioxol-5-yl-[3-(2,4-difluorophenoxy)azetidin-1-yl]methanone
CID 134788063
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265561
4-[1-(1H-indole-2-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265550
1,3-benzodioxol-5-yl-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 124891027
1-cyclopropyl-4-[1-(3,4-difluorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121155821
1-cyclopropyl-4-[1-(3,4-dichlorobenzoyl)azetidin-3-yl]oxy-6-methylpyridin-2-one
CID 91814906

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The IUPAC name of 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one (CID 86265539) is 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The canonical SMILES for 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is Cc1cc(OC2CN(C(=O)c3ccc4c(c3)OCO4)C2)cc(=O)n1C.
What is the InChIKey of 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
The InChIKey is GBUOJEAMNAPHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-5-13(7-17(21)19(11)2)25-14-8-20(9-14)18(22)12-3-4-15-16(6-12)24-10-23-15/h3-7,14H,8-10H2,1-2H3.
What are the key properties of 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one?
4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one has a molecular weight of 342.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]oxy-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 86265539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).