4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide

C25H26FN3O3 — CID 163576137

IUPAC4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide
SMILESCOC/C=C/c1ccc(NC(=O)N2CCC(Oc3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C25H26FN3O3/c1-31-16-2-3-18-4-7-20(8-5-18)28-25(30)29-14-11-21(12-15-29)32-24-10-13-27-23-9-6-19(26)17-22(23)24/h2-10,13,17,21H,11-12,14-16H2,1H3,(H,28,30)/b3-2+
InChIKeyGDPWDLHBBMETRM-NSCUHMNNSA-N
MW435.50 g/mol
LogP5.11
Rot. Bonds6

About 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide

4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide (PubChem CID 163576137) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide
PubChem CID163576137
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide
SMILESCOC/C=C/c1ccc(NC(=O)N2CCC(Oc3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C25H26FN3O3/c1-31-16-2-3-18-4-7-20(8-5-18)28-25(30)29-14-11-21(12-15-29)32-24-10-13-27-23-9-6-19(26)17-22(23)24/h2-10,13,17,21H,11-12,14-16H2,1H3,(H,28,30)/b3-2+
InChIKeyGDPWDLHBBMETRM-NSCUHMNNSA-N
XLogP5.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.50
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide with MolForge

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Related Compounds

1-[6-(6-fluoroquinolin-4-yl)oxy-2-azaspiro[3.3]heptan-2-yl]-2-[4-[(E)-3-methoxyprop-1-enyl]phenyl]ethanone
CID 163854944
tert-butyl 3-(6-fluoroquinolin-4-yl)oxypiperidine-1-carboxylate
CID 126573698
N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318421
1-ethoxy-2-[4-(6-fluoroquinolin-4-yl)oxypiperidin-1-yl]propan-1-ol
CID 166682866
1-[(1S,3R,6R,7S)-3-(6-fluoroquinolin-4-yl)oxy-7-bicyclo[4.1.0]heptanyl]ethanone
CID 156541889
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
4-(6-iodoquinolin-4-yl)oxypiperidine-1-carboxylic acid
CID 69468516
N-(4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566506
6-fluoro-4-[[(1R,5S)-6-[(Z)-1-methoxyprop-1-en-2-yl]-3-bicyclo[3.1.0]hexanyl]oxy]quinoline
CID 146318432
N-(4-chlorophenyl)-7-(6-fluoroquinolin-4-yl)oxy-3-azabicyclo[3.2.0]hept-1(7)-ene-3-carboxamide
CID 166682876
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-[1-(trifluoromethyl)pyrrol-3-yl]propanamide
CID 156541893
2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)butanamide
CID 146318407

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide (CID 163576137) is 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide is COC/C=C/c1ccc(NC(=O)N2CCC(Oc3ccnc4ccc(F)cc34)CC2)cc1.
What is the InChIKey of 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide?
The InChIKey is GDPWDLHBBMETRM-NSCUHMNNSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-31-16-2-3-18-4-7-20(8-5-18)28-25(30)29-14-11-21(12-15-29)32-24-10-13-27-23-9-6-19(26)17-22(23)24/h2-10,13,17,21H,11-12,14-16H2,1H3,(H,28,30)/b3-2+.
What are the key properties of 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide?
4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroquinolin-4-yl)oxy-N-[4-[(E)-3-methoxyprop-1-enyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 163576137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).