1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine

C84H101F4N11O — CID 162177068

IUPAC1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine
SMILESNC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.NC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.N[C@@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21
InChIInChI=1S/3C21H26FN3.C21H23FN2O/c3*22-17-7-5-16(6-8-17)15-25-13-11-21(12-14-25)10-9-19(23)18-3-1-2-4-20(18)24-21;22-17-7-5-16(6-8-17)15-24-13-11-21(12-14-24)10-9-20(25)18-3-1-2-4-19(18)23-21/h3*1-8,19,24H,9-15,23H2;1-8,23H,9-15H2/t19-;;;/m1.../s1
InChIKeyZONIQBNKXQJFRC-RGFWRHHQSA-N
MW1356.80 g/mol
LogP16.45
Rot. Bonds8

About 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine

1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine (PubChem CID 162177068) has the molecular formula C84H101F4N11O and a molecular weight of 1356.80 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine.

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine
PubChem CID162177068
Molecular FormulaC84H101F4N11O
Molecular Weight1356.80 g/mol
Exact Mass1355.81
IUPAC Name1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine
SMILESNC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.NC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.N[C@@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21
InChIInChI=1S/3C21H26FN3.C21H23FN2O/c3*22-17-7-5-16(6-8-17)15-25-13-11-21(12-14-25)10-9-19(23)18-3-1-2-4-20(18)24-21;22-17-7-5-16(6-8-17)15-24-13-11-21(12-14-24)10-9-20(25)18-3-1-2-4-19(18)23-21/h3*1-8,19,24H,9-15,23H2;1-8,23H,9-15H2/t19-;;;/m1.../s1
InChIKeyZONIQBNKXQJFRC-RGFWRHHQSA-N
XLogP16.45
TPSA156.21 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001356.80
LogP ≤ 516.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Analyze 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine with MolForge

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Related Compounds

1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol);(5S)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-ol;methane
CID 157218923
8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029544
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
1'-[(4-fluorophenyl)methyl]spiro[2,5-dihydro-1,5-benzoxazepine-3,4'-piperidine]-4-one
CID 134791874
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-2,3-dihydro-1H-indole
CID 173295575
(3S)-1'-benzylspiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92574801
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 166265632
1-bromo-3-methylbutane;ethanethiol;1'-(3-methylbutyl)spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one
CID 157368150
[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-diphenylmethanol
CID 4678685
N-cyclobutyl-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375886

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine (CID 162177068) is 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine.
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine is NC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.NC1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.N[C@@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)Nc2ccccc21.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine?
The InChIKey is ZONIQBNKXQJFRC-RGFWRHHQSA-N. The full InChI is InChI=1S/3C21H26FN3.C21H23FN2O/c3*22-17-7-5-16(6-8-17)15-25-13-11-21(12-14-25)10-9-19(23)18-3-1-2-4-20(18)24-21;22-17-7-5-16(6-8-17)15-24-13-11-21(12-14-24)10-9-20(25)18-3-1-2-4-19(18)23-21/h3*1-8,19,24H,9-15,23H2;1-8,23H,9-15H2/t19-;;;/m1.../s1.
What are the key properties of 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine?
1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine has a molecular weight of 1356.80 g/mol, XLogP of 16.45, 8 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]spiro[3,4-dihydro-1H-1-benzazepine-2,4'-piperidine]-5-one;bis(1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine);(5R)-1'-[(4-fluorophenyl)methyl]spiro[1,3,4,5-tetrahydro-1-benzazepine-2,4'-piperidine]-5-amine is sourced from PubChem (CID 162177068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).