2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C22H23N3O2 — CID 121195484

IUPAC2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C22H23N3O2/c26-22(11-15-14-24-20-6-2-1-5-19(15)20)25-16-8-9-17(25)13-18(12-16)27-21-7-3-4-10-23-21/h1-7,10,14,16-18,24H,8-9,11-13H2
InChIKeyTVCMEKBXNVKFIA-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.71
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 121195484) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID121195484
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C22H23N3O2/c26-22(11-15-14-24-20-6-2-1-5-19(15)20)25-16-8-9-17(25)13-18(12-16)27-21-7-3-4-10-23-21/h1-7,10,14,16-18,24H,8-9,11-13H2
InChIKeyTVCMEKBXNVKFIA-UHFFFAOYSA-N
XLogP3.71
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone with MolForge

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Related Compounds

3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195473
1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pent-4-en-1-one
CID 121195266
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195431
3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195386
2-(1H-indol-3-yl)-1-(3-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 91627845
(1R,5S)-8-[2-(1H-indol-3-yl)acetyl]-N,N-diphenyl-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
CID 153074875
(1R,5S)-8-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-one
CID 100627987
2-(1H-indol-3-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261208
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 121195347

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 121195484) is 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is TVCMEKBXNVKFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-22(11-15-14-24-20-6-2-1-5-19(15)20)25-16-8-9-17(25)13-18(12-16)27-21-7-3-4-10-23-21/h1-7,10,14,16-18,24H,8-9,11-13H2.
What are the key properties of 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 361.44 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 121195484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).