2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone

C20H24N2O3 — CID 94611215

IUPAC2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCCCC[C@H]2c2ccncc2)c1
InChIInChI=1S/C20H24N2O3/c1-24-17-6-5-7-18(14-17)25-15-20(23)22-13-4-2-3-8-19(22)16-9-11-21-12-10-16/h5-7,9-12,14,19H,2-4,8,13,15H2,1H3/t19-/m0/s1
InChIKeyGUADZIVZNLZOAL-IBGZPJMESA-N
MW340.42 g/mol
LogP3.61
Rot. Bonds5

About 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone

2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone (PubChem CID 94611215) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
PubChem CID94611215
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
SMILESCOc1cccc(OCC(=O)N2CCCCC[C@H]2c2ccncc2)c1
InChIInChI=1S/C20H24N2O3/c1-24-17-6-5-7-18(14-17)25-15-20(23)22-13-4-2-3-8-19(22)16-9-11-21-12-10-16/h5-7,9-12,14,19H,2-4,8,13,15H2,1H3/t19-/m0/s1
InChIKeyGUADZIVZNLZOAL-IBGZPJMESA-N
XLogP3.61
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
2-(3-chlorophenoxy)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 35604202
2-propan-2-yloxy-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
CID 95234107
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 112766806
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
2-(2-chlorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51325114
2-(2-chlorophenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86917626
N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
CID 55764371
2-(4-acetyl-2-methoxyphenoxy)-1-[2-(4-methoxyphenyl)azepan-1-yl]ethanone
CID 17429655
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876
2-(2,4-dimethylphenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86920438
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone?
The IUPAC name of 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone (CID 94611215) is 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone.
What is the SMILES notation for 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone?
The canonical SMILES for 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone is COc1cccc(OCC(=O)N2CCCCC[C@H]2c2ccncc2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone?
The InChIKey is GUADZIVZNLZOAL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-17-6-5-7-18(14-17)25-15-20(23)22-13-4-2-3-8-19(22)16-9-11-21-12-10-16/h5-7,9-12,14,19H,2-4,8,13,15H2,1H3/t19-/m0/s1.
What are the key properties of 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone?
2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone has a molecular weight of 340.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone is sourced from PubChem (CID 94611215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).