phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone

C17H25N2O+ — CID 7648541

IUPACphenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone
SMILESC[NH+]1C[C@]2(C)CN(C(=O)c3ccccc3)C[C@](C)(C1)C2
InChIInChI=1S/C17H24N2O/c1-16-9-17(2,11-18(3)10-16)13-19(12-16)15(20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/p+1/t16-,17+
InChIKeyZUEDZMSCVGIWAW-CALCHBBNSA-O
MW273.40 g/mol
LogP1.07
Rot. Bonds1

About phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone

phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone (PubChem CID 7648541) has the molecular formula C17H25N2O+ and a molecular weight of 273.40 g/mol. Its IUPAC name is phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone.

Molecular Properties

Compound Namephenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone
PubChem CID7648541
Molecular FormulaC17H25N2O+
Molecular Weight273.40 g/mol
Exact Mass273.20
IUPAC Namephenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone
SMILESC[NH+]1C[C@]2(C)CN(C(=O)c3ccccc3)C[C@](C)(C1)C2
InChIInChI=1S/C17H24N2O/c1-16-9-17(2,11-18(3)10-16)13-19(12-16)15(20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/p+1/t16-,17+
InChIKeyZUEDZMSCVGIWAW-CALCHBBNSA-O
XLogP1.07
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone with MolForge

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Related Compounds

phenyl-[(1R,5R)-1,5,7-trimethyl-3,7-diazabicyclo[3.3.1]nonan-3-yl]methanone
CID 98177898
2,7-diazaspiro[3.5]nonan-2-yl(phenyl)methanone;hydrochloride
CID 141390941
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
2-oxa-6-azaspiro[3.3]heptan-6-yl(phenyl)methanone
CID 170975673
1-benzoyl-3-methyl-4-methylidenepyrrolidine-3-carbaldehyde
CID 57327952
(4-amino-3,3-dimethylpiperidin-1-yl)-phenylmethanone;hydrochloride
CID 120815405
methyl 2-benzoyl-4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylate
CID 139095289
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-phenylmethanone
CID 115269824
[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6931777
1-benzoyl-2,2-dimethylpyrrolidin-3-one
CID 66936289

Frequently Asked Questions

What is the IUPAC name of phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone?
The IUPAC name of phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone (CID 7648541) is phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone.
What is the SMILES notation for phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone?
The canonical SMILES for phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone is C[NH+]1C[C@]2(C)CN(C(=O)c3ccccc3)C[C@](C)(C1)C2.
What is the InChIKey of phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone?
The InChIKey is ZUEDZMSCVGIWAW-CALCHBBNSA-O. The full InChI is InChI=1S/C17H24N2O/c1-16-9-17(2,11-18(3)10-16)13-19(12-16)15(20)14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3/p+1/t16-,17+.
What are the key properties of phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone?
phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone has a molecular weight of 273.40 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(1S,5R)-1,5,7-trimethyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl]methanone is sourced from PubChem (CID 7648541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).