[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone

C17H22N4O4 — CID 91920672

IUPAC[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCOCCOCc1nc(C2CCCCN2C(=O)c2ccncc2)no1
InChIInChI=1S/C17H22N4O4/c1-23-10-11-24-12-15-19-16(20-25-15)14-4-2-3-9-21(14)17(22)13-5-7-18-8-6-13/h5-8,14H,2-4,9-12H2,1H3
InChIKeyPCGRQBVSIVQUAG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.00
Rot. Bonds7

About [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone

[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 91920672) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID91920672
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCOCCOCc1nc(C2CCCCN2C(=O)c2ccncc2)no1
InChIInChI=1S/C17H22N4O4/c1-23-10-11-24-12-15-19-16(20-25-15)14-4-2-3-9-21(14)17(22)13-5-7-18-8-6-13/h5-8,14H,2-4,9-12H2,1H3
InChIKeyPCGRQBVSIVQUAG-UHFFFAOYSA-N
XLogP2.00
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-phenylmethanone
CID 75475073
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91909905
[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 75475086
2-hydroxy-1-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 110269475
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[6-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 95779392
5-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyridin-2-one
CID 95779287
2-(2-fluorophenyl)-1-[(2S)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345540
2-(2-fluorophenyl)-1-[(2R)-2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]azepan-1-yl]ethanone
CID 97345541
1-[4-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carbonyl]phenyl]ethanone
CID 97345395
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
2-[5-(cyclopropylmethoxymethyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 91920684

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 91920672) is [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone is COCCOCc1nc(C2CCCCN2C(=O)c2ccncc2)no1.
What is the InChIKey of [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is PCGRQBVSIVQUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-23-10-11-24-12-15-19-16(20-25-15)14-4-2-3-9-21(14)17(22)13-5-7-18-8-6-13/h5-8,14H,2-4,9-12H2,1H3.
What are the key properties of [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone?
[2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 346.39 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-methoxyethoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 91920672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).