2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone

C16H22N2O2 — CID 64610151

IUPAC2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(C2CCCN2C(=O)CC2CNC2)c1
InChIInChI=1S/C16H22N2O2/c1-20-14-5-2-4-13(9-14)15-6-3-7-18(15)16(19)8-12-10-17-11-12/h2,4-5,9,12,15,17H,3,6-8,10-11H2,1H3
InChIKeyFXLRNQLKOVXNPG-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.97
Rot. Bonds4

About 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone

2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone (PubChem CID 64610151) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
PubChem CID64610151
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
SMILESCOc1cccc(C2CCCN2C(=O)CC2CNC2)c1
InChIInChI=1S/C16H22N2O2/c1-20-14-5-2-4-13(9-14)15-6-3-7-18(15)16(19)8-12-10-17-11-12/h2,4-5,9,12,15,17H,3,6-8,10-11H2,1H3
InChIKeyFXLRNQLKOVXNPG-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51889844
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119700018
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
4-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzoic acid
CID 125120944
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 75866663
1-[(4-fluorophenyl)methyl]-3-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]urea
CID 46699945
N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]butanamide
CID 136577876
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79285595
2-(2,6-dimethylheptan-4-yloxy)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176965602
4-fluoro-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 51325119
1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 51688220

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone (CID 64610151) is 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone is COc1cccc(C2CCCN2C(=O)CC2CNC2)c1.
What is the InChIKey of 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone?
The InChIKey is FXLRNQLKOVXNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-14-5-2-4-13(9-14)15-6-3-7-18(15)16(19)8-12-10-17-11-12/h2,4-5,9,12,15,17H,3,6-8,10-11H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone?
2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 64610151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).