3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone

C26H32N2O2 — CID 24957914

IUPAC3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(OCc3ccccc3)C2)cc1)N1CC2CCC(CC2)C1
InChIInChI=1S/C26H32N2O2/c29-26(28-16-20-6-7-21(17-28)9-8-20)23-10-12-24(13-11-23)27-15-14-25(18-27)30-19-22-4-2-1-3-5-22/h1-5,10-13,20-21,25H,6-9,14-19H2
InChIKeyCEYRHMKRVOLUOK-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.74
Rot. Bonds5

About 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone

3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone (PubChem CID 24957914) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
PubChem CID24957914
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone
SMILESO=C(c1ccc(N2CCC(OCc3ccccc3)C2)cc1)N1CC2CCC(CC2)C1
InChIInChI=1S/C26H32N2O2/c29-26(28-16-20-6-7-21(17-28)9-8-20)23-10-12-24(13-11-23)27-15-14-25(18-27)30-19-22-4-2-1-3-5-22/h1-5,10-13,20-21,25H,6-9,14-19H2
InChIKeyCEYRHMKRVOLUOK-UHFFFAOYSA-N
XLogP4.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone with MolForge

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Related Compounds

(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
(4-nitrophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 12806999
4-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]benzamide
CID 56545792
2-[4-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 51278709
(4-phenylmethoxypiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 55460591
phenyl-[(6R)-6-phenylmethoxy-1,4-oxazepan-4-yl]methanone
CID 75367813
1-(4-isocyanophenyl)-4-phenylmethoxypiperidine
CID 140728394
[4-(diethylamino)phenyl]-(3-phenylmethoxyazetidin-1-yl)methanone
CID 118786113
1-[(3S)-1-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenyl]pyrrolidin-3-yl]-4-methylpentan-2-one
CID 58044840
[4-(benzenesulfonyl)piperidin-1-yl]-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]methanone
CID 124761344
4-(4-phenylmethoxypiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672848

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone?
The IUPAC name of 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone (CID 24957914) is 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone.
What is the SMILES notation for 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone?
The canonical SMILES for 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone is O=C(c1ccc(N2CCC(OCc3ccccc3)C2)cc1)N1CC2CCC(CC2)C1.
What is the InChIKey of 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone?
The InChIKey is CEYRHMKRVOLUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c29-26(28-16-20-6-7-21(17-28)9-8-20)23-10-12-24(13-11-23)27-15-14-25(18-27)30-19-22-4-2-1-3-5-22/h1-5,10-13,20-21,25H,6-9,14-19H2.
What are the key properties of 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone?
3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone has a molecular weight of 404.55 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.2.2]nonan-3-yl-[4-(3-phenylmethoxypyrrolidin-1-yl)phenyl]methanone is sourced from PubChem (CID 24957914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).