[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone

C16H21NO3 — CID 74232483

IUPAC[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
SMILESCOc1cccc(C2CCN2C(=O)C2CCOCC2)c1
InChIInChI=1S/C16H21NO3/c1-19-14-4-2-3-13(11-14)15-5-8-17(15)16(18)12-6-9-20-10-7-12/h2-4,11-12,15H,5-10H2,1H3
InChIKeyNXLCKODLCSYUJO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.40
Rot. Bonds3

About [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone

[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 74232483) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
PubChem CID74232483
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone
SMILESCOc1cccc(C2CCN2C(=O)C2CCOCC2)c1
InChIInChI=1S/C16H21NO3/c1-19-14-4-2-3-13(11-14)15-5-8-17(15)16(18)12-6-9-20-10-7-12/h2-4,11-12,15H,5-10H2,1H3
InChIKeyNXLCKODLCSYUJO-UHFFFAOYSA-N
XLogP2.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 52556394
cyclobutyl-[4-[(2R)-2-(3-methoxyphenyl)azetidine-1-carbonyl]piperidin-1-yl]methanone
CID 97206838
[2-(3-methoxyphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 56898380
cyclopropyl-[4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 55526600
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 146123500
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97277567
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
(4R)-1-cyclopropyl-4-[(2S)-2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95567810
tert-butyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 51325156
[2-(3-methoxyphenyl)piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131949336
(1,5-dimethylpyrrol-2-yl)-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 99928860

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone (CID 74232483) is [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone is COc1cccc(C2CCN2C(=O)C2CCOCC2)c1.
What is the InChIKey of [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is NXLCKODLCSYUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-19-14-4-2-3-13(11-14)15-5-8-17(15)16(18)12-6-9-20-10-7-12/h2-4,11-12,15H,5-10H2,1H3.
What are the key properties of [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone?
[2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 275.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)azetidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 74232483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).