3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one

C20H21FN2O2 — CID 98067126

IUPAC3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)c(=O)[nH]1
InChIInChI=1S/C20H21FN2O2/c1-12-2-9-18(19(24)22-12)20(25)23-16-7-8-17(23)11-14(10-16)13-3-5-15(21)6-4-13/h2-6,9,14,16-17H,7-8,10-11H2,1H3,(H,22,24)/t16-,17-/m0/s1
InChIKeyZCGTYKFRDYXUFL-IRXDYDNUSA-N
MW340.40 g/mol
LogP3.37
Rot. Bonds2

About 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one

3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 98067126) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID98067126
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)c(=O)[nH]1
InChIInChI=1S/C20H21FN2O2/c1-12-2-9-18(19(24)22-12)20(25)23-16-7-8-17(23)11-14(10-16)13-3-5-15(21)6-4-13/h2-6,9,14,16-17H,7-8,10-11H2,1H3,(H,22,24)/t16-,17-/m0/s1
InChIKeyZCGTYKFRDYXUFL-IRXDYDNUSA-N
XLogP3.37
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

(3,5-difluorophenyl)-[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98066971
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 98067092
[(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
6-methyl-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 86768751
6-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 77401853
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4-methoxy-3-methylphenyl)methanone
CID 77401889
(4-amino-5-chloro-2-methoxyphenyl)-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98067118
[(1R,5R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-quinolin-5-ylmethanone
CID 98066976
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(3-methylsulfanylphenyl)methanone
CID 143948110
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone
CID 16674981
4-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-1-methylpyrrolidin-2-one
CID 16668658

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one (CID 98067126) is 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccc(F)cc2)C3)c(=O)[nH]1.
What is the InChIKey of 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is ZCGTYKFRDYXUFL-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-12-2-9-18(19(24)22-12)20(25)23-16-7-8-17(23)11-14(10-16)13-3-5-15(21)6-4-13/h2-6,9,14,16-17H,7-8,10-11H2,1H3,(H,22,24)/t16-,17-/m0/s1.
What are the key properties of 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 340.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5S)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 98067126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).