1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one

C24H29N3O2 — CID 98063999

IUPAC1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc1
InChIInChI=1S/C24H29N3O2/c28-23-8-4-14-27(23)21-11-9-18(10-12-21)15-26-16-19-5-3-6-20(17-26)24(19,29)22-7-1-2-13-25-22/h1-2,7,9-13,19-20,29H,3-6,8,14-17H2/t19-,20-/m1/s1
InChIKeyQJBNXIYTKGCGGW-WOJBJXKFSA-N
MW391.52 g/mol
LogP3.33
Rot. Bonds4

About 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one

1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one (PubChem CID 98063999) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one
PubChem CID98063999
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc1
InChIInChI=1S/C24H29N3O2/c28-23-8-4-14-27(23)21-11-9-18(10-12-21)15-26-16-19-5-3-6-20(17-26)24(19,29)22-7-1-2-13-25-22/h1-2,7,9-13,19-20,29H,3-6,8,14-17H2/t19-,20-/m1/s1
InChIKeyQJBNXIYTKGCGGW-WOJBJXKFSA-N
XLogP3.33
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one with MolForge

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Related Compounds

(1R,5R)-3-[(3,4-difluorophenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063962
(1S,5S)-3-[(2-propan-2-ylpyrimidin-5-yl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063996
(1S,5S)-3-[[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064033
(1S,5S)-3-[[3-(3-methoxyphenyl)phenyl]methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064040
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
3-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216448
1-[4-[2-[(2R)-4-benzyl-2-ethylpiperazin-1-yl]-2-oxoethyl]phenyl]pyrrolidin-2-one
CID 95782144
(1S,5S)-3-[(2,3-dimethoxyphenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063956
3-[(2,4-dimethoxyphenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216425
1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
CID 93242474
3-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216450
formic acid;1-[4-[[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
CID 155972900

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one (CID 98063999) is 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)cc1.
What is the InChIKey of 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one?
The InChIKey is QJBNXIYTKGCGGW-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23-8-4-14-27(23)21-11-9-18(10-12-21)15-26-16-19-5-3-6-20(17-26)24(19,29)22-7-1-2-13-25-22/h1-2,7,9-13,19-20,29H,3-6,8,14-17H2/t19-,20-/m1/s1.
What are the key properties of 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one?
1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one has a molecular weight of 391.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R,5R)-9-hydroxy-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-3-yl]methyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 98063999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).