2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone

C15H21NO2 — CID 79536019

IUPAC2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CC1CCCCCN1
InChIInChI=1S/C15H21NO2/c1-18-15-9-5-4-8-13(15)14(17)11-12-7-3-2-6-10-16-12/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3
InChIKeyYGTNROSGICCMLZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.80
Rot. Bonds4

About 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone

2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone (PubChem CID 79536019) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
PubChem CID79536019
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CC1CCCCCN1
InChIInChI=1S/C15H21NO2/c1-18-15-9-5-4-8-13(15)14(17)11-12-7-3-2-6-10-16-12/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3
InChIKeyYGTNROSGICCMLZ-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
2-(azepan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 79539404
2-(azocan-2-yl)-1-(2,5-dimethylphenyl)ethanone
CID 114239619
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-2-ylpropan-1-one
CID 116563723
1-(3-bromo-2,4-dimethoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 103524247
1-(2-methoxyphenyl)-4-piperidin-2-ylbutan-2-one
CID 116563786
methyl 2-(azocan-2-yl)acetate
CID 86040521
1-(3-ethyl-4-methoxyphenyl)-2-pyrrolidin-2-ylethanone
CID 116916982
1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
CID 114607499
5-(2-methoxyphenyl)-4-[2-[(2R)-piperidin-2-yl]acetyl]-1,3-thiazole-2-carboxamide
CID 173146496
N-(2-hydroxyethyl)-2-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612911

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone (CID 79536019) is 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CC1CCCCCN1.
What is the InChIKey of 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone?
The InChIKey is YGTNROSGICCMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15-9-5-4-8-13(15)14(17)11-12-7-3-2-6-10-16-12/h4-5,8-9,12,16H,2-3,6-7,10-11H2,1H3.
What are the key properties of 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone?
2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 79536019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).