4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile

C24H22FN3O3 — CID 91432947

IUPAC4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile
SMILESN#CC1(Cc2ccc(F)cc2)CCN(C(=O)COC2=CCC=C3C=CC(=O)N=C32)CC1
InChIInChI=1S/C24H22FN3O3/c25-19-7-4-17(5-8-19)14-24(16-26)10-12-28(13-11-24)22(30)15-31-20-3-1-2-18-6-9-21(29)27-23(18)20/h2-9H,1,10-15H2
InChIKeyZZQOVUSIJHDUDR-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.27
Rot. Bonds5

About 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile

4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile (PubChem CID 91432947) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile
PubChem CID91432947
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile
SMILESN#CC1(Cc2ccc(F)cc2)CCN(C(=O)COC2=CCC=C3C=CC(=O)N=C32)CC1
InChIInChI=1S/C24H22FN3O3/c25-19-7-4-17(5-8-19)14-24(16-26)10-12-28(13-11-24)22(30)15-31-20-3-1-2-18-6-9-21(29)27-23(18)20/h2-9H,1,10-15H2
InChIKeyZZQOVUSIJHDUDR-UHFFFAOYSA-N
XLogP3.27
TPSA82.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile with MolForge

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Related Compounds

methyl 2-[5-bromo-2-[2-[4-cyano-4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethoxy]phenyl]-2,2-difluoroacetate
CID 58678149
methyl 2-[5-chloro-2-[2-[4-cyano-4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethoxy]phenyl]acetate
CID 58678117
1-[2-[4-chloro-2-(2-cyanoacetyl)phenoxy]acetyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 11518121
1-[2-[4-chloro-2-(2-isocyanoacetyl)phenoxy]acetyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 58678118
N-[[5-chloro-2-[2-[4-cyano-4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethoxy]phenyl]methyl]propane-1-sulfonamide
CID 11713367
[5-chloro-2-[2-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-oxoethoxy]phenyl]urea;1-[2-[4-chloro-2-(hydroxymethyl)phenoxy]acetyl]-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 159011466
(3R)-3-[(4-fluorophenyl)methyl]-1-(2-pyrimidin-4-ylpyridine-3-carbonyl)pyrrolidine-3-carbonitrile
CID 155344140
4-[(4-fluorophenyl)methyl]-1-[(2Z,3Z,5E)-2-(1-pyrimidin-4-ylethylidene)octa-3,5-dienoyl]piperidine-4-carbonitrile
CID 155731303
methyl 2-[5-bromo-2-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-2-oxoethoxy]phenyl]acetate
CID 58678169
1-(6-chloro-7-methoxy-3-oxo-4H-1,4-benzoxazine-2-carbonyl)-4-[(4-fluorophenyl)methyl]piperidine-4-carbonitrile
CID 59367877
1-(6-azaspiro[2.5]octan-6-yl)-2-[4-[(E)-C-ethyl-N-[(4-fluorophenyl)methoxy]carbonimidoyl]phenoxy]ethanone
CID 90021317
[5-chloro-2-[2-[4-cyano-4-(4-fluorobenzoyl)piperidin-1-yl]-2-oxoethoxy]phenyl]urea
CID 11583426

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile (CID 91432947) is 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile is N#CC1(Cc2ccc(F)cc2)CCN(C(=O)COC2=CCC=C3C=CC(=O)N=C32)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile?
The InChIKey is ZZQOVUSIJHDUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-19-7-4-17(5-8-19)14-24(16-26)10-12-28(13-11-24)22(30)15-31-20-3-1-2-18-6-9-21(29)27-23(18)20/h2-9H,1,10-15H2.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile?
4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile has a molecular weight of 419.46 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-[2-[(2-oxo-6H-quinolin-8-yl)oxy]acetyl]piperidine-4-carbonitrile is sourced from PubChem (CID 91432947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).