7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C20H21FN2O3 — CID 45243127

IUPAC7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccoc1)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C20H21FN2O3/c21-17-4-2-15(3-5-17)12-22-9-1-7-20(19(22)25)8-10-23(14-20)18(24)16-6-11-26-13-16/h2-6,11,13H,1,7-10,12,14H2
InChIKeyIGKXTYURYAZXAS-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.07
Rot. Bonds3

About 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45243127) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45243127
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1ccoc1)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1
InChIInChI=1S/C20H21FN2O3/c21-17-4-2-15(3-5-17)12-22-9-1-7-20(19(22)25)8-10-23(14-20)18(24)16-6-11-26-13-16/h2-6,11,13H,1,7-10,12,14H2
InChIKeyIGKXTYURYAZXAS-UHFFFAOYSA-N
XLogP3.07
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-[(4-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95721661
1-[7-[(4-fluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-phenylethane-1,2-dione
CID 45251564
2-(furan-3-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45188525
(5S)-7-[(4-fluorophenyl)methyl]-2-(1H-imidazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42529834
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25396509
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56905387
7-[(4-fluorophenyl)methyl]-2-[1-(methoxymethyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119061583
(5S)-9-(furan-3-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97372094
(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896931
(5R)-7-[(2-fluorophenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25446227
(5S)-2-(2-methylpropanoyl)-7-[(4-propan-2-ylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26412240

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45243127) is 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1ccoc1)N1CCC2(CCCN(Cc3ccc(F)cc3)C2=O)C1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IGKXTYURYAZXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-4-2-15(3-5-17)12-22-9-1-7-20(19(22)25)8-10-23(14-20)18(24)16-6-11-26-13-16/h2-6,11,13H,1,7-10,12,14H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 356.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-2-(furan-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45243127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).