azepan-1-yl(1H-indol-4-yl)methanone

C15H18N2O — CID 43582350

IUPACazepan-1-yl(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCCCCC1
InChIInChI=1S/C15H18N2O/c18-15(17-10-3-1-2-4-11-17)13-6-5-7-14-12(13)8-9-16-14/h5-9,16H,1-4,10-11H2
InChIKeyZOWMXJSVXIYOBX-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.18
Rot. Bonds1

About azepan-1-yl(1H-indol-4-yl)methanone

azepan-1-yl(1H-indol-4-yl)methanone (PubChem CID 43582350) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is azepan-1-yl(1H-indol-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(1H-indol-4-yl)methanone
PubChem CID43582350
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Nameazepan-1-yl(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCCCCC1
InChIInChI=1S/C15H18N2O/c18-15(17-10-3-1-2-4-11-17)13-6-5-7-14-12(13)8-9-16-14/h5-9,16H,1-4,10-11H2
InChIKeyZOWMXJSVXIYOBX-UHFFFAOYSA-N
XLogP3.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
CID 65360904
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-4-yl)methanone
CID 116635844
(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788336
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
1'-(1H-indole-4-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164695838
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(1H-indol-4-yl)methanone?
The IUPAC name of azepan-1-yl(1H-indol-4-yl)methanone (CID 43582350) is azepan-1-yl(1H-indol-4-yl)methanone.
What is the SMILES notation for azepan-1-yl(1H-indol-4-yl)methanone?
The canonical SMILES for azepan-1-yl(1H-indol-4-yl)methanone is O=C(c1cccc2[nH]ccc12)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(1H-indol-4-yl)methanone?
The InChIKey is ZOWMXJSVXIYOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c18-15(17-10-3-1-2-4-11-17)13-6-5-7-14-12(13)8-9-16-14/h5-9,16H,1-4,10-11H2.
What are the key properties of azepan-1-yl(1H-indol-4-yl)methanone?
azepan-1-yl(1H-indol-4-yl)methanone has a molecular weight of 242.32 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(1H-indol-4-yl)methanone is sourced from PubChem (CID 43582350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).