[3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C21H22FN5O2 — CID 59396037

IUPAC[3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCCC(COc3ccc(F)cn3)C2)c1
InChIInChI=1S/C21H22FN5O2/c1-15-4-6-19(27-24-8-9-25-27)18(11-15)21(28)26-10-2-3-16(13-26)14-29-20-7-5-17(22)12-23-20/h4-9,11-12,16H,2-3,10,13-14H2,1H3
InChIKeyDNLONETYZDCELL-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.04
Rot. Bonds5

About [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 59396037) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID59396037
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name[3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2CCCC(COc3ccc(F)cn3)C2)c1
InChIInChI=1S/C21H22FN5O2/c1-15-4-6-19(27-24-8-9-25-27)18(11-15)21(28)26-10-2-3-16(13-26)14-29-20-7-5-17(22)12-23-20/h4-9,11-12,16H,2-3,10,13-14H2,1H3
InChIKeyDNLONETYZDCELL-UHFFFAOYSA-N
XLogP3.04
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 59396037) is [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2CCCC(COc3ccc(F)cn3)C2)c1.
What is the InChIKey of [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is DNLONETYZDCELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-15-4-6-19(27-24-8-9-25-27)18(11-15)21(28)26-10-2-3-16(13-26)14-29-20-7-5-17(22)12-23-20/h4-9,11-12,16H,2-3,10,13-14H2,1H3.
What are the key properties of [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 395.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-2-pyridinyl)oxymethyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 59396037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).