1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one

C20H20FN3O2 — CID 134791453

IUPAC1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)NCc1ccccc1NC2=O
InChIInChI=1S/C20H20FN3O2/c21-16-7-5-14(6-8-16)18(25)24-11-9-20(10-12-24)19(26)23-17-4-2-1-3-15(17)13-22-20/h1-8,22H,9-13H2,(H,23,26)
InChIKeyCOIVWQMRDJVXJX-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.54
Rot. Bonds1

About 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one

1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one (PubChem CID 134791453) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one
PubChem CID134791453
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one
SMILESO=C(c1ccc(F)cc1)N1CCC2(CC1)NCc1ccccc1NC2=O
InChIInChI=1S/C20H20FN3O2/c21-16-7-5-14(6-8-16)18(25)24-11-9-20(10-12-24)19(26)23-17-4-2-1-3-15(17)13-22-20/h1-8,22H,9-13H2,(H,23,26)
InChIKeyCOIVWQMRDJVXJX-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
1'-[4-(trifluoromethyl)benzoyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 134791811
1,3-dihydroisoindol-2-yl-(4-fluorophenyl)methanone
CID 62230828
[(3S)-2-cyclopentyliminospiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]-pyridin-4-ylmethanone
CID 136872963
1'-(3,4-dihydro-2H-chromene-6-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70761308
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 46570584
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70768044
1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
CID 134790038
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
1H-indol-6-yl-[(3R)-2-(2-methoxyethylimino)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,3'-pyrrolidine]-1'-yl]methanone
CID 136675129
5-chloro-1'-(4-fluorobenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077796
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 139008558

Frequently Asked Questions

What is the IUPAC name of 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one (CID 134791453) is 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one is O=C(c1ccc(F)cc1)N1CCC2(CC1)NCc1ccccc1NC2=O.
What is the InChIKey of 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one?
The InChIKey is COIVWQMRDJVXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c21-16-7-5-14(6-8-16)18(25)24-11-9-20(10-12-24)19(26)23-17-4-2-1-3-15(17)13-22-20/h1-8,22H,9-13H2,(H,23,26).
What are the key properties of 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one?
1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one has a molecular weight of 353.40 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-fluorobenzoyl)spiro[4,5-dihydro-1H-1,4-benzodiazepine-3,4'-piperidine]-2-one is sourced from PubChem (CID 134791453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).