[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

C21H21FN4O4 — CID 91907932

IUPAC[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)cn1
InChIInChI=1S/C21H21FN4O4/c1-28-18-9-8-14(11-23-18)21(27)26-10-4-5-15(12-26)20-24-19(30-25-20)13-29-17-7-3-2-6-16(17)22/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3
InChIKeyQYHIPDOXIWMECP-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.21
Rot. Bonds6

About [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone

[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (PubChem CID 91907932) has the molecular formula C21H21FN4O4 and a molecular weight of 412.42 g/mol. Its IUPAC name is [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
PubChem CID91907932
Molecular FormulaC21H21FN4O4
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)cn1
InChIInChI=1S/C21H21FN4O4/c1-28-18-9-8-14(11-23-18)21(27)26-10-4-5-15(12-26)20-24-19(30-25-20)13-29-17-7-3-2-6-16(17)22/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3
InChIKeyQYHIPDOXIWMECP-UHFFFAOYSA-N
XLogP3.21
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 91918537
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918540
3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 91918572
[3-[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 91907871
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
(3-methylphenyl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91907894
(3,5-dimethoxyphenyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91918447
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91918423
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95768051
(3,4-dimethoxyphenyl)-[(3R)-3-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 95094815
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The IUPAC name of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone (CID 91907932) is [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)cn1.
What is the InChIKey of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
The InChIKey is QYHIPDOXIWMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O4/c1-28-18-9-8-14(11-23-18)21(27)26-10-4-5-15(12-26)20-24-19(30-25-20)13-29-17-7-3-2-6-16(17)22/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3.
What are the key properties of [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone?
[3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone has a molecular weight of 412.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 91907932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).