2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

C20H26N2O — CID 3152595

IUPAC2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1C2CC(CN2C(=O)Cc2c[nH]c3ccccc23)CC1(C)C
InChIInChI=1S/C20H26N2O/c1-13-18-8-14(10-20(13,2)3)12-22(18)19(23)9-15-11-21-17-7-5-4-6-16(15)17/h4-7,11,13-14,18,21H,8-10,12H2,1-3H3
InChIKeyOVTLGSAPLQWFDW-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.99
Rot. Bonds2

About 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (PubChem CID 3152595) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
PubChem CID3152595
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1C2CC(CN2C(=O)Cc2c[nH]c3ccccc23)CC1(C)C
InChIInChI=1S/C20H26N2O/c1-13-18-8-14(10-20(13,2)3)12-22(18)19(23)9-15-11-21-17-7-5-4-6-16(15)17/h4-7,11,13-14,18,21H,8-10,12H2,1-3H3
InChIKeyOVTLGSAPLQWFDW-UHFFFAOYSA-N
XLogP3.99
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone with MolForge

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
1-(4-amino-2-methylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 115312222
1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110744420
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110644020
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7665707
1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 43420925
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
N-(3,4-dimethylcyclohexyl)-2-(1H-indol-3-yl)acetamide
CID 64742201
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
CID 63600642

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (CID 3152595) is 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is CC1C2CC(CN2C(=O)Cc2c[nH]c3ccccc23)CC1(C)C.
What is the InChIKey of 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The InChIKey is OVTLGSAPLQWFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-13-18-8-14(10-20(13,2)3)12-22(18)19(23)9-15-11-21-17-7-5-4-6-16(15)17/h4-7,11,13-14,18,21H,8-10,12H2,1-3H3.
What are the key properties of 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone has a molecular weight of 310.44 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-(3,3,4-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is sourced from PubChem (CID 3152595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).