2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone

C22H27NO — CID 54048280

IUPAC2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCC1(C)C2CC[C@@]1(C)CN(C(=O)Cc1cccc3ccccc13)C2
InChIInChI=1S/C22H27NO/c1-21(2)18-11-12-22(21,3)15-23(14-18)20(24)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-10,18H,11-15H2,1-3H3/t18?,22-/m0/s1
InChIKeyLRBZWSLFMQRXMW-YSYXNDDBSA-N
MW321.46 g/mol
LogP4.67
Rot. Bonds2

About 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone

2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone (PubChem CID 54048280) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone.

Molecular Properties

Compound Name2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone
PubChem CID54048280
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone
SMILESCC1(C)C2CC[C@@]1(C)CN(C(=O)Cc1cccc3ccccc13)C2
InChIInChI=1S/C22H27NO/c1-21(2)18-11-12-22(21,3)15-23(14-18)20(24)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-10,18H,11-15H2,1-3H3/t18?,22-/m0/s1
InChIKeyLRBZWSLFMQRXMW-YSYXNDDBSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone with MolForge

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Related Compounds

1-(4-hydroxy-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 80702768
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
1-(3-bromo-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 102962438
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490
(3R,4R)-4-cyclopropyl-1-(2-naphthalen-1-ylacetyl)pyrrolidine-3-carboxylic acid
CID 120979377
1-(1,4-diazabicyclo[4.3.1]decan-4-yl)-2-naphthalen-1-ylethanone;methane
CID 87338963
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone
CID 122255438
(3S,4S)-1-(2-naphthalen-1-ylacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949149
1-[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-2-naphthalen-1-ylethanone
CID 134711292
2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896738

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone?
The IUPAC name of 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone (CID 54048280) is 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone.
What is the SMILES notation for 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone?
The canonical SMILES for 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone is CC1(C)C2CC[C@@]1(C)CN(C(=O)Cc1cccc3ccccc13)C2.
What is the InChIKey of 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone?
The InChIKey is LRBZWSLFMQRXMW-YSYXNDDBSA-N. The full InChI is InChI=1S/C22H27NO/c1-21(2)18-11-12-22(21,3)15-23(14-18)20(24)13-17-9-6-8-16-7-4-5-10-19(16)17/h4-10,18H,11-15H2,1-3H3/t18?,22-/m0/s1.
What are the key properties of 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone?
2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone has a molecular weight of 321.46 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-1-[(1R)-1,8,8-trimethyl-3-azabicyclo[3.2.1]octan-3-yl]ethanone is sourced from PubChem (CID 54048280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).