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

C23H23FN4O2 — CID 59396033

IUPAC[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-c1ncccn1
InChIInChI=1S/C23H23FN4O2/c1-16-7-8-17(15-30-21-10-9-18(24)13-27-21)14-28(16)23(29)20-6-3-2-5-19(20)22-25-11-4-12-26-22/h2-6,9-13,16-17H,7-8,14-15H2,1H3/t16-,17-/m1/s1
InChIKeyNHPFQONZHFJUNT-IAGOWNOFSA-N
MW406.46 g/mol
LogP4.00
Rot. Bonds5

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

[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (PubChem CID 59396033) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
PubChem CID59396033
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-c1ncccn1
InChIInChI=1S/C23H23FN4O2/c1-16-7-8-17(15-30-21-10-9-18(24)13-27-21)14-28(16)23(29)20-6-3-2-5-19(20)22-25-11-4-12-26-22/h2-6,9-13,16-17H,7-8,14-15H2,1H3/t16-,17-/m1/s1
InChIKeyNHPFQONZHFJUNT-IAGOWNOFSA-N
XLogP4.00
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-(2-pyrimidin-2-ylphenyl)methanone?
The IUPAC name of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone (CID 59396033) is [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone.
What is the SMILES notation for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The canonical SMILES for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1ccccc1-c1ncccn1.
What is the InChIKey of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
The InChIKey is NHPFQONZHFJUNT-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-7-8-17(15-30-21-10-9-18(24)13-27-21)14-28(16)23(29)20-6-3-2-5-19(20)22-25-11-4-12-26-22/h2-6,9-13,16-17H,7-8,14-15H2,1H3/t16-,17-/m1/s1.
What are the key properties of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone?
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone has a molecular weight of 406.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone is sourced from PubChem (CID 59396033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).