[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone

C22H25NO — CID 86284378

IUPAC[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone
SMILESCc1ccccc1-c1ccccc1C(=O)N1C[C@@H]2CCC[C@H](C2)C1
InChIInChI=1S/C22H25NO/c1-16-7-2-3-10-19(16)20-11-4-5-12-21(20)22(24)23-14-17-8-6-9-18(13-17)15-23/h2-5,7,10-12,17-18H,6,8-9,13-15H2,1H3/t17-,18-/m1/s1
InChIKeyPZWXIALUXLEWHV-QZTJIDSGSA-N
MW319.45 g/mol
LogP4.92
Rot. Bonds2

About [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone

[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone (PubChem CID 86284378) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone
PubChem CID86284378
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone
SMILESCc1ccccc1-c1ccccc1C(=O)N1C[C@@H]2CCC[C@H](C2)C1
InChIInChI=1S/C22H25NO/c1-16-7-2-3-10-19(16)20-11-4-5-12-21(20)22(24)23-14-17-8-6-9-18(13-17)15-23/h2-5,7,10-12,17-18H,6,8-9,13-15H2,1H3/t17-,18-/m1/s1
InChIKeyPZWXIALUXLEWHV-QZTJIDSGSA-N
XLogP4.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone with MolForge

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Related Compounds

[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 56885604
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 90650856
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
(4-amino-3-pyridinyl)-(3-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 114196779
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 133126161
3-methyl-7-[2-(2-methylphenyl)benzoyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56911386
(1R,5S)-6-methyl-3-(2-phenylbenzoyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133122074
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
2-[1-(2-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681215

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone?
The IUPAC name of [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone (CID 86284378) is [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone.
What is the SMILES notation for [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone?
The canonical SMILES for [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone is Cc1ccccc1-c1ccccc1C(=O)N1C[C@@H]2CCC[C@H](C2)C1.
What is the InChIKey of [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone?
The InChIKey is PZWXIALUXLEWHV-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H25NO/c1-16-7-2-3-10-19(16)20-11-4-5-12-21(20)22(24)23-14-17-8-6-9-18(13-17)15-23/h2-5,7,10-12,17-18H,6,8-9,13-15H2,1H3/t17-,18-/m1/s1.
What are the key properties of [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone?
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone has a molecular weight of 319.45 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone is sourced from PubChem (CID 86284378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).