9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C21H24FN3O — CID 72894402

IUPAC9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(c3ccncc3F)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C21H24FN3O/c1-24-15-21(13-17(20(24)26)16-5-3-2-4-6-16)8-11-25(12-9-21)19-7-10-23-14-18(19)22/h2-7,10,14,17H,8-9,11-13,15H2,1H3
InChIKeyYGXOHUGASBGCCS-UHFFFAOYSA-N
MW353.44 g/mol
LogP3.45
Rot. Bonds2

About 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72894402) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72894402
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCN(c3ccncc3F)CC2)CC(c2ccccc2)C1=O
InChIInChI=1S/C21H24FN3O/c1-24-15-21(13-17(20(24)26)16-5-3-2-4-6-16)8-11-25(12-9-21)19-7-10-23-14-18(19)22/h2-7,10,14,17H,8-9,11-13,15H2,1H3
InChIKeyYGXOHUGASBGCCS-UHFFFAOYSA-N
XLogP3.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4S)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 97144452
(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 97147860
(4R)-2-methyl-4-phenyl-9-(thiophen-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97139547
4-methyl-1-[(4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pentane-1,2-dione
CID 97127092
8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72914510
(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97197653
(4R)-2-methyl-4-phenyl-9-[3-(tetrazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97138060
2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97443621
propyl 2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72939969
(4S)-9-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97191794
(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97194947
9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72894402) is 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCN(c3ccncc3F)CC2)CC(c2ccccc2)C1=O.
What is the InChIKey of 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is YGXOHUGASBGCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-24-15-21(13-17(20(24)26)16-5-3-2-4-6-16)8-11-25(12-9-21)19-7-10-23-14-18(19)22/h2-7,10,14,17H,8-9,11-13,15H2,1H3.
What are the key properties of 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 353.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluoro-4-pyridinyl)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72894402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).