8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one

C20H21FN4O3 — CID 91890943

IUPAC8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)cc1F
InChIInChI=1S/C20H21FN4O3/c1-28-17-8-7-14(13-16(17)21)18(26)24-11-9-20(10-12-24)22-19(27)25(23-20)15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3,(H,22,27)
InChIKeyMTEXERMGRXMSSL-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.50
Rot. Bonds3

About 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one

8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one (PubChem CID 91890943) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one
PubChem CID91890943
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)cc1F
InChIInChI=1S/C20H21FN4O3/c1-28-17-8-7-14(13-16(17)21)18(26)24-11-9-20(10-12-24)22-19(27)25(23-20)15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3,(H,22,27)
InChIKeyMTEXERMGRXMSSL-UHFFFAOYSA-N
XLogP2.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

3-benzyl-8-(3-fluoro-4-methoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83275372
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 107160164
1-[4-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 32754911
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
(3-fluoro-4-methoxyphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815008
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one (CID 91890943) is 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one is COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccccc2)N3)cc1F.
What is the InChIKey of 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The InChIKey is MTEXERMGRXMSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-28-17-8-7-14(13-16(17)21)18(26)24-11-9-20(10-12-24)22-19(27)25(23-20)15-5-3-2-4-6-15/h2-8,13,23H,9-12H2,1H3,(H,22,27).
What are the key properties of 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one has a molecular weight of 384.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-4-methoxybenzoyl)-2-phenyl-1,2,4,8-tetrazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91890943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).