[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone

C19H25FN2O — CID 46191517

IUPAC[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H25FN2O/c20-16-6-4-14(5-7-16)15-12-17-8-9-18(13-15)22(17)19(23)21-10-2-1-3-11-21/h4-7,15,17-18H,1-3,8-13H2/t17-,18-/m1/s1
InChIKeyLLMUPBOEXUNNQT-QZTJIDSGSA-N
MW316.42 g/mol
LogP4.14
Rot. Bonds1

About [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone

[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone (PubChem CID 46191517) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
PubChem CID46191517
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C19H25FN2O/c20-16-6-4-14(5-7-16)15-12-17-8-9-18(13-15)22(17)19(23)21-10-2-1-3-11-21/h4-7,15,17-18H,1-3,8-13H2/t17-,18-/m1/s1
InChIKeyLLMUPBOEXUNNQT-QZTJIDSGSA-N
XLogP4.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidine-4-carboxylic acid
CID 66996216
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 66996846
[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
CID 66996802
[(1S,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 45273886
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 66996834
(3,5-difluorophenyl)-[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98066971
ethyl 1-[(1S,5R)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]piperidine-4-carboxylate
CID 90391808
4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one
CID 16668658
2-[4-(4-fluorophenyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 16674603
3,8-diazabicyclo[3.2.1]octan-8-yl(piperidin-1-yl)methanone
CID 175882005
[(1S,5R)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
CID 130370179
[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 98067046

Frequently Asked Questions

What is the IUPAC name of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone (CID 46191517) is [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1[C@@H]2CC[C@@H]1CC(c1ccc(F)cc1)C2.
What is the InChIKey of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
The InChIKey is LLMUPBOEXUNNQT-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-16-6-4-14(5-7-16)15-12-17-8-9-18(13-15)22(17)19(23)21-10-2-1-3-11-21/h4-7,15,17-18H,1-3,8-13H2/t17-,18-/m1/s1.
What are the key properties of [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone has a molecular weight of 316.42 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 46191517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).