[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone

C24H24FN3O2 — CID 59396047

IUPAC[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ncccc1-c1ccccc1
InChIInChI=1S/C24H24FN3O2/c1-17-9-10-18(16-30-22-12-11-20(25)14-27-22)15-28(17)24(29)23-21(8-5-13-26-23)19-6-3-2-4-7-19/h2-8,11-14,17-18H,9-10,15-16H2,1H3/t17-,18-/m1/s1
InChIKeySRNAGDGPIQRAFX-QZTJIDSGSA-N
MW405.47 g/mol
LogP4.60
Rot. Bonds5

About [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone

[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone (PubChem CID 59396047) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone
PubChem CID59396047
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ncccc1-c1ccccc1
InChIInChI=1S/C24H24FN3O2/c1-17-9-10-18(16-30-22-12-11-20(25)14-27-22)15-28(17)24(29)23-21(8-5-13-26-23)19-6-3-2-4-7-19/h2-8,11-14,17-18H,9-10,15-16H2,1H3/t17-,18-/m1/s1
InChIKeySRNAGDGPIQRAFX-QZTJIDSGSA-N
XLogP4.60
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
The IUPAC name of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone (CID 59396047) is [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone.
What is the SMILES notation for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
The canonical SMILES for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone is C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ncccc1-c1ccccc1.
What is the InChIKey of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
The InChIKey is SRNAGDGPIQRAFX-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-17-9-10-18(16-30-22-12-11-20(25)14-27-22)15-28(17)24(29)23-21(8-5-13-26-23)19-6-3-2-4-7-19/h2-8,11-14,17-18H,9-10,15-16H2,1H3/t17-,18-/m1/s1.
What are the key properties of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone?
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone has a molecular weight of 405.47 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(3-phenyl-2-pyridinyl)methanone is sourced from PubChem (CID 59396047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).