N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide

C18H21N3O2 — CID 6604789

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21
InChIInChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyZNAPADWWBWFMCQ-HNNXBMFYSA-N
MW311.38 g/mol
LogP1.57
Rot. Bonds3

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide (PubChem CID 6604789) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide
PubChem CID6604789
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide
SMILESCn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21
InChIInChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyZNAPADWWBWFMCQ-HNNXBMFYSA-N
XLogP1.57
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide (CID 6604789) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide is Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
The InChIKey is ZNAPADWWBWFMCQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-10-14(13-4-2-3-5-16(13)20)17(22)18(23)19-15-11-21-8-6-12(15)7-9-21/h2-5,10,12,15H,6-9,11H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide has a molecular weight of 311.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-(1-methylindol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 6604789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).