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

C22H24FN5O3 — CID 59396056

IUPAC[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(CO)ccc1-n1nccn1
InChIInChI=1S/C22H24FN5O3/c1-15-2-3-17(14-31-21-7-5-18(23)11-24-21)12-27(15)22(30)19-10-16(13-29)4-6-20(19)28-25-8-9-26-28/h4-11,15,17,29H,2-3,12-14H2,1H3/t15-,17-/m1/s1
InChIKeySGRJQSJLOQZHRN-NVXWUHKLSA-N
MW425.46 g/mol
LogP2.61
Rot. Bonds6

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

[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone (PubChem CID 59396056) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone
PubChem CID59396056
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(CO)ccc1-n1nccn1
InChIInChI=1S/C22H24FN5O3/c1-15-2-3-17(14-31-21-7-5-18(23)11-24-21)12-27(15)22(30)19-10-16(13-29)4-6-20(19)28-25-8-9-26-28/h4-11,15,17,29H,2-3,12-14H2,1H3/t15-,17-/m1/s1
InChIKeySGRJQSJLOQZHRN-NVXWUHKLSA-N
XLogP2.61
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone (CID 59396056) is [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(CO)ccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is SGRJQSJLOQZHRN-NVXWUHKLSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-15-2-3-17(14-31-21-7-5-18(23)11-24-21)12-27(15)22(30)19-10-16(13-29)4-6-20(19)28-25-8-9-26-28/h4-11,15,17,29H,2-3,12-14H2,1H3/t15-,17-/m1/s1.
What are the key properties of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 425.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-[5-(hydroxymethyl)-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 59396056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).