(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone

C17H22N2O — CID 115672309

IUPAC(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C17H22N2O/c1-2-13-7-4-3-5-12-19(13)17(20)15-8-6-9-16-14(15)10-11-18-16/h6,8-11,13,18H,2-5,7,12H2,1H3
InChIKeyVHOGOCRRLFDAKN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.96
Rot. Bonds2

About (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone

(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone (PubChem CID 115672309) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
PubChem CID115672309
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
SMILESCCC1CCCCCN1C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C17H22N2O/c1-2-13-7-4-3-5-12-19(13)17(20)15-8-6-9-16-14(15)10-11-18-16/h6,8-11,13,18H,2-5,7,12H2,1H3
InChIKeyVHOGOCRRLFDAKN-UHFFFAOYSA-N
XLogP3.96
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-4-yl)methanone
CID 116635844
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone
CID 83152477
(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone
CID 64978238
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609
(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104689965
1H-indol-4-yl-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 75446127
1H-indol-4-yl-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95795288
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55137776

Frequently Asked Questions

What is the IUPAC name of (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone?
The IUPAC name of (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone (CID 115672309) is (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone.
What is the SMILES notation for (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone?
The canonical SMILES for (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone is CCC1CCCCCN1C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone?
The InChIKey is VHOGOCRRLFDAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-13-7-4-3-5-12-19(13)17(20)15-8-6-9-16-14(15)10-11-18-16/h6,8-11,13,18H,2-5,7,12H2,1H3.
What are the key properties of (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone?
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone has a molecular weight of 270.38 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone is sourced from PubChem (CID 115672309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).