1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one

C20H21FN2O2 — CID 134791874

IUPAC1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one
SMILESO=C1Nc2ccccc2OCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H21FN2O2/c21-16-7-5-15(6-8-16)13-23-11-9-20(10-12-23)14-25-18-4-2-1-3-17(18)22-19(20)24/h1-8H,9-14H2,(H,22,24)
InChIKeyQEZACXZMSZOONU-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.44
Rot. Bonds2

About 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one

1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one (PubChem CID 134791874) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one
PubChem CID134791874
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one
SMILESO=C1Nc2ccccc2OCC12CCN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H21FN2O2/c21-16-7-5-15(6-8-16)13-23-11-9-20(10-12-23)14-25-18-4-2-1-3-17(18)22-19(20)24/h1-8H,9-14H2,(H,22,24)
InChIKeyQEZACXZMSZOONU-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-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

1'-(pyridin-4-ylmethyl)spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one
CID 134793162
1'-[4-(trifluoromethyl)benzoyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one
CID 134794743
1'-[(4-fluorophenyl)methyl]spiro[2,4-dihydro-1,4-benzoxazepine-3,3'-piperidine]-5-one
CID 134793510
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one
CID 115099122
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029544
8-benzyl-4-(4-fluorophenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
CID 12832700
9-[(4-chlorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 95853385

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one (CID 134791874) is 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one is O=C1Nc2ccccc2OCC12CCN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one?
The InChIKey is QEZACXZMSZOONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c21-16-7-5-15(6-8-16)13-23-11-9-20(10-12-23)14-25-18-4-2-1-3-17(18)22-19(20)24/h1-8H,9-14H2,(H,22,24).
What are the key properties of 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one?
1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one has a molecular weight of 340.40 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one is sourced from PubChem (CID 134791874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).