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

C25H26FN3O2 — CID 25125859

IUPAC[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone
SMILESCc1ccc(-c2ccccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1
InChIInChI=1S/C25H26FN3O2/c1-17-6-10-21(23-5-3-4-12-27-23)22(13-17)25(30)29-15-19(8-7-18(29)2)16-31-24-11-9-20(26)14-28-24/h3-6,9-14,18-19H,7-8,15-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyHVWHSVKRUBHDPE-RTBURBONSA-N
MW419.50 g/mol
LogP4.91
Rot. Bonds5

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

[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone (PubChem CID 25125859) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone
PubChem CID25125859
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone
SMILESCc1ccc(-c2ccccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1
InChIInChI=1S/C25H26FN3O2/c1-17-6-10-21(23-5-3-4-12-27-23)22(13-17)25(30)29-15-19(8-7-18(29)2)16-31-24-11-9-20(26)14-28-24/h3-6,9-14,18-19H,7-8,15-16H2,1-2H3/t18-,19-/m1/s1
InChIKeyHVWHSVKRUBHDPE-RTBURBONSA-N
XLogP4.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 54.91
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]-(5-methyl-2-pyridin-2-ylphenyl)methanone?
The IUPAC name of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone (CID 25125859) is [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone.
What is the SMILES notation for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone?
The canonical SMILES for [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone is Cc1ccc(-c2ccccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)CC[C@H]2C)c1.
What is the InChIKey of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone?
The InChIKey is HVWHSVKRUBHDPE-RTBURBONSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-17-6-10-21(23-5-3-4-12-27-23)22(13-17)25(30)29-15-19(8-7-18(29)2)16-31-24-11-9-20(26)14-28-24/h3-6,9-14,18-19H,7-8,15-16H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of [(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone?
[(2R,5R)-5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-methylpiperidin-1-yl]-(5-methyl-2-pyridin-2-ylphenyl)methanone has a molecular weight of 419.50 g/mol, XLogP of 4.91, 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]-(5-methyl-2-pyridin-2-ylphenyl)methanone is sourced from PubChem (CID 25125859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).