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

C27H24FN3O2 — CID 118726314

IUPAC[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1ccccn1
InChIInChI=1S/C27H24FN3O2/c1-18-12-13-19(33-25-14-16-30-26-22(25)9-6-10-23(26)28)17-31(18)27(32)21-8-3-2-7-20(21)24-11-4-5-15-29-24/h2-11,14-16,18-19H,12-13,17H2,1H3/t18-,19-/m1/s1
InChIKeyUPBHSSZIKGJTBP-RTBURBONSA-N
MW441.51 g/mol
LogP5.51
Rot. Bonds4

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

[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone (PubChem CID 118726314) 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-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
PubChem CID118726314
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-2-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1ccccn1
InChIInChI=1S/C27H24FN3O2/c1-18-12-13-19(33-25-14-16-30-26-22(25)9-6-10-23(26)28)17-31(18)27(32)21-8-3-2-7-20(21)24-11-4-5-15-29-24/h2-11,14-16,18-19H,12-13,17H2,1H3/t18-,19-/m1/s1
InChIKeyUPBHSSZIKGJTBP-RTBURBONSA-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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone?
The IUPAC name of [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone (CID 118726314) is [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone?
The canonical SMILES for [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone is C[C@@H]1CC[C@@H](Oc2ccnc3c(F)cccc23)CN1C(=O)c1ccccc1-c1ccccn1.
What is the InChIKey of [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone?
The InChIKey is UPBHSSZIKGJTBP-RTBURBONSA-N. The full InChI is InChI=1S/C27H24FN3O2/c1-18-12-13-19(33-25-14-16-30-26-22(25)9-6-10-23(26)28)17-31(18)27(32)21-8-3-2-7-20(21)24-11-4-5-15-29-24/h2-11,14-16,18-19H,12-13,17H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone?
[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-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-2-ylphenyl)methanone is sourced from PubChem (CID 118726314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).