[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone

C27H24FN3O2 — CID 118726312

IUPAC[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cccnc1
InChIInChI=1S/C27H24FN3O2/c1-18-11-12-20(33-25-13-15-30-26-23(25)9-4-10-24(26)28)17-31(18)27(32)22-8-3-2-7-21(22)19-6-5-14-29-16-19/h2-10,13-16,18,20H,11-12,17H2,1H3/t18-,20-/m1/s1
InChIKeyLXALXHRACFTCLB-UYAOXDASSA-N
MW441.51 g/mol
LogP5.51
Rot. Bonds4

About [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone

[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone (PubChem CID 118726312) has the molecular formula C27H24FN3O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone
PubChem CID118726312
Molecular FormulaC27H24FN3O2
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC Name[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cccnc1
InChIInChI=1S/C27H24FN3O2/c1-18-11-12-20(33-25-13-15-30-26-23(25)9-4-10-24(26)28)17-31(18)27(32)22-8-3-2-7-21(22)19-6-5-14-29-16-19/h2-10,13-16,18,20H,11-12,17H2,1H3/t18-,20-/m1/s1
InChIKeyLXALXHRACFTCLB-UYAOXDASSA-N
XLogP5.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone?
The IUPAC name of [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone (CID 118726312) is [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone?
The canonical SMILES for [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone is C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1cccnc1.
What is the InChIKey of [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone?
The InChIKey is LXALXHRACFTCLB-UYAOXDASSA-N. The full InChI is InChI=1S/C27H24FN3O2/c1-18-11-12-20(33-25-13-15-30-26-23(25)9-4-10-24(26)28)17-31(18)27(32)22-8-3-2-7-21(22)19-6-5-14-29-16-19/h2-10,13-16,18,20H,11-12,17H2,1H3/t18-,20-/m1/s1.
What are the key properties of [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone?
[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone has a molecular weight of 441.51 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 118726312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).