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

C20H21FN4O3 — CID 91890984

IUPAC2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccc(F)cc2)N3)cc1
InChIInChI=1S/C20H21FN4O3/c1-28-17-8-2-14(3-9-17)18(26)24-12-10-20(11-13-24)22-19(27)25(23-20)16-6-4-15(21)5-7-16/h2-9,23H,10-13H2,1H3,(H,22,27)
InChIKeyLPRUKLOMAYVXHE-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.50
Rot. Bonds3

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

2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (PubChem CID 91890984) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
PubChem CID91890984
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one
SMILESCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccc(F)cc2)N3)cc1
InChIInChI=1S/C20H21FN4O3/c1-28-17-8-2-14(3-9-17)18(26)24-12-10-20(11-13-24)22-19(27)25(23-20)16-6-4-15(21)5-7-16/h2-9,23H,10-13H2,1H3,(H,22,27)
InChIKeyLPRUKLOMAYVXHE-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 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methoxy-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 21428971
4-butoxy-N-(2-(4-methoxy-phenyl)-4-oxo-1,4-dihydro-2H-quinazolin-3-yl)-benzamide
CID 11751175
4-methoxy-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 952362
4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 960708
8-(2,6-difluorobenzoyl)-N-(4-methoxyphenyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72375939
2-(4-methoxybenzoyl)-N-(4-methylphenyl)hydrazinecarboxamide
CID 841363
4-methoxy-N-[3-(1-pyrrolidinylcarbonyl)phenyl]benzamide
CID 2304502
4-Methoxy-N-[1-(4-methoxy-phenylthiocarbamoyl)-piperidin-4-yl]-benzamide
CID 3218671
4-methoxy-N-[1-[(2-methylphenyl)carbamothioyl]piperidin-4-yl]benzamide
CID 3218707
(5R)-9-(4-methoxybenzoyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233201
(5R)-N-(3-fluorophenyl)-9-(4-methoxybenzoyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234106
(4-methoxyphenyl)-[(5S)-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234999

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one (CID 91890984) is 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is COc1ccc(C(=O)N2CCC3(CC2)NC(=O)N(c2ccc(F)cc2)N3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
The InChIKey is LPRUKLOMAYVXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-28-17-8-2-14(3-9-17)18(26)24-12-10-20(11-13-24)22-19(27)25(23-20)16-6-4-15(21)5-7-16/h2-9,23H,10-13H2,1H3,(H,22,27).
What are the key properties of 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one?
2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-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 2-(4-fluorophenyl)-8-(4-methoxybenzoyl)-1,2,4,8-tetrazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91890984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).