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

C24H32N2O2 — CID 121195411

IUPAC2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C24H32N2O2/c27-23(15-24-12-16-7-17(13-24)9-18(8-16)14-24)26-19-4-5-20(26)11-21(10-19)28-22-3-1-2-6-25-22/h1-3,6,16-21H,4-5,7-15H2
InChIKeyQHFLRVKFRPAAFW-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.59
Rot. Bonds4

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

2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 121195411) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID121195411
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C24H32N2O2/c27-23(15-24-12-16-7-17(13-24)9-18(8-16)14-24)26-19-4-5-20(26)11-21(10-19)28-22-3-1-2-6-25-22/h1-3,6,16-21H,4-5,7-15H2
InChIKeyQHFLRVKFRPAAFW-UHFFFAOYSA-N
XLogP4.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
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,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
N-ethyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195616
2-(1H-indol-3-yl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121195484
3-[2-oxo-2-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-1,3-benzoxazol-2-one
CID 121195352
benzyl N-[2-oxo-2-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]ethyl]carbamate
CID 129357300
1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129356016
3-(3-chlorophenyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121195386
oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195554

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 121195411) is 2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(CC12CC3CC(CC(C3)C1)C2)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of 2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is QHFLRVKFRPAAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c27-23(15-24-12-16-7-17(13-24)9-18(8-16)14-24)26-19-4-5-20(26)11-21(10-19)28-22-3-1-2-6-25-22/h1-3,6,16-21H,4-5,7-15H2.
What are the key properties of 2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 380.53 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 121195411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).