2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one

C15H22N2O2 — CID 166375860

IUPAC2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one
SMILESCOC(C)(C(=O)N1CC(c2ccccn2)C1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)15(3,19-4)14(18)17-9-12(10-17)13-7-5-6-8-16-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyLVNHRNSLJNURCE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.07
Rot. Bonds4

About 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one

2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one (PubChem CID 166375860) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one.

Molecular Properties

Compound Name2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one
PubChem CID166375860
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one
SMILESCOC(C)(C(=O)N1CC(c2ccccn2)C1)C(C)C
InChIInChI=1S/C15H22N2O2/c1-11(2)15(3,19-4)14(18)17-9-12(10-17)13-7-5-6-8-16-13/h5-8,11-12H,9-10H2,1-4H3
InChIKeyLVNHRNSLJNURCE-UHFFFAOYSA-N
XLogP2.07
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
N-[(2R)-4-phenylbutan-2-yl]-3-pyridin-2-ylazetidine-1-carboxamide
CID 125447718
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
4-oxo-1-propan-2-yl-5-(3-pyridin-2-ylazetidine-1-carbonyl)pyridine-3-carboxylic acid
CID 119061488
[(2S)-1-methylsulfonylpyrrolidin-2-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 95729485
(3S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-2-ylpyrrolidine-3-carboxylate
CID 7135712
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 74244859
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
CID 95719715
tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
CID 66641449
[4-(2-methoxypyrimidin-5-yl)naphthalen-1-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 172674392

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one?
The IUPAC name of 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one (CID 166375860) is 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one.
What is the SMILES notation for 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one?
The canonical SMILES for 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one is COC(C)(C(=O)N1CC(c2ccccn2)C1)C(C)C.
What is the InChIKey of 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one?
The InChIKey is LVNHRNSLJNURCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(2)15(3,19-4)14(18)17-9-12(10-17)13-7-5-6-8-16-13/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one?
2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2,3-dimethyl-1-(3-pyridin-2-ylazetidin-1-yl)butan-1-one is sourced from PubChem (CID 166375860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).