9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

C21H22FN3O2 — CID 162630199

IUPAC9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cncc(F)c1)N1CCCC12CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C21H22FN3O2/c22-18-12-17(13-23-14-18)19(26)25-11-5-9-21(25)8-4-10-24(20(21)27)15-16-6-2-1-3-7-16/h1-3,6-7,12-14H,4-5,8-11,15H2
InChIKeySOVJEGNVZUGXJF-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.02
Rot. Bonds3

About 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one

9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162630199) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162630199
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(c1cncc(F)c1)N1CCCC12CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C21H22FN3O2/c22-18-12-17(13-23-14-18)19(26)25-11-5-9-21(25)8-4-10-24(20(21)27)15-16-6-2-1-3-7-16/h1-3,6-7,12-14H,4-5,8-11,15H2
InChIKeySOVJEGNVZUGXJF-UHFFFAOYSA-N
XLogP3.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(5-fluoropyridine-3-carbonyl)-3,3-dimethylpiperazin-2-one
CID 126814728
9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491
9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163308559
1-(1H-imidazole-5-carbonyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633803
1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162637207
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635914
9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162631678
9-benzyl-1-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635128
9-methyl-1-(5-methylpyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316091
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162630199) is 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is O=C(c1cncc(F)c1)N1CCCC12CCCN(Cc1ccccc1)C2=O.
What is the InChIKey of 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is SOVJEGNVZUGXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-18-12-17(13-23-14-18)19(26)25-11-5-9-21(25)8-4-10-24(20(21)27)15-16-6-2-1-3-7-16/h1-3,6-7,12-14H,4-5,8-11,15H2.
What are the key properties of 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one?
9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 367.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162630199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).