[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone

C13H18N2O2 — CID 143566015

IUPAC[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(N(C)C)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-14(2)11-8-15(9-11)13(16)10-4-6-12(17-3)7-5-10/h4-7,11H,8-9H2,1-3H3
InChIKeyDWIFWENEHDVHOI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.08
Rot. Bonds3

About [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone

[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 143566015) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID143566015
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(N(C)C)C2)cc1
InChIInChI=1S/C13H18N2O2/c1-14(2)11-8-15(9-11)13(16)10-4-6-12(17-3)7-5-10/h4-7,11H,8-9H2,1-3H3
InChIKeyDWIFWENEHDVHOI-UHFFFAOYSA-N
XLogP1.08
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 110107932
[3-(4-methoxyphenoxy)azetidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 134791197
2-[1-(4-methoxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680825
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
(4-methoxyphenyl)-(3-quinolin-2-yloxyazetidin-1-yl)methanone
CID 122250286
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
[3-(dimethylamino)azetidin-1-yl]-(4-iodo-3-methylphenyl)methanone
CID 172646765
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
methyl 4-[4-(dimethylamino)piperidine-1-carbonyl]benzoate
CID 60579417

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone (CID 143566015) is [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CC(N(C)C)C2)cc1.
What is the InChIKey of [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is DWIFWENEHDVHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-14(2)11-8-15(9-11)13(16)10-4-6-12(17-3)7-5-10/h4-7,11H,8-9H2,1-3H3.
What are the key properties of [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone?
[3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)azetidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 143566015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).