1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone

C16H19FN2O — CID 110856306

IUPAC1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)N1CCCCCC1
InChIInChI=1S/C16H19FN2O/c17-13-5-6-14-12(11-18-15(14)10-13)9-16(20)19-7-3-1-2-4-8-19/h5-6,10-11,18H,1-4,7-9H2
InChIKeyOYYZNLQZYURNLO-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.25
Rot. Bonds2

About 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone

1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone (PubChem CID 110856306) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
PubChem CID110856306
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2cc(F)ccc12)N1CCCCCC1
InChIInChI=1S/C16H19FN2O/c17-13-5-6-14-12(11-18-15(14)10-13)9-16(20)19-7-3-1-2-4-8-19/h5-6,10-11,18H,1-4,7-9H2
InChIKeyOYYZNLQZYURNLO-UHFFFAOYSA-N
XLogP3.25
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 86878648
2-(6-fluoro-1H-indol-3-yl)-1-(4-methylsulfinylpiperazin-1-yl)ethanone
CID 123386544
2-[1-[2-(6-fluoro-1H-indol-3-yl)acetyl]-3-hydroxypiperidin-3-yl]acetamide
CID 154744665
2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 172548059
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
2-(5-fluoro-1H-indol-3-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425118
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110700238
(2R,3R)-1-[2-(6-fluoro-1H-indol-3-yl)acetyl]-2-methylpiperidine-3-carboxylic acid
CID 122116474
1-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 97096930
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone (CID 110856306) is 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2cc(F)ccc12)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone?
The InChIKey is OYYZNLQZYURNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c17-13-5-6-14-12(11-18-15(14)10-13)9-16(20)19-7-3-1-2-4-8-19/h5-6,10-11,18H,1-4,7-9H2.
What are the key properties of 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone?
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone has a molecular weight of 274.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 110856306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).