[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

C21H28N4O4 — CID 131948357

IUPAC[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESCOCCc1noc(C2CCCN(C(=O)c3ccccc3N3CCOCC3)C2)n1
InChIInChI=1S/C21H28N4O4/c1-27-12-8-19-22-20(29-23-19)16-5-4-9-25(15-16)21(26)17-6-2-3-7-18(17)24-10-13-28-14-11-24/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeySVGUUZLVXGCNLL-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.11
Rot. Bonds6

About [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone

[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (PubChem CID 131948357) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
PubChem CID131948357
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESCOCCc1noc(C2CCCN(C(=O)c3ccccc3N3CCOCC3)C2)n1
InChIInChI=1S/C21H28N4O4/c1-27-12-8-19-22-20(29-23-19)16-5-4-9-25(15-16)21(26)17-6-2-3-7-18(17)24-10-13-28-14-11-24/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeySVGUUZLVXGCNLL-UHFFFAOYSA-N
XLogP2.11
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-benzodioxol-5-yl-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 70715745
2-(2H-indazol-3-yl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 45231992
6-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 70709707
[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002312
3-[2-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70778696
(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 125438766
[2-(2-methoxyethoxy)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129351811
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
(2-fluorophenyl)-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91918804
[2-(methoxymethyl)phenyl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129346773
[3-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 56728060
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone (CID 131948357) is [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is COCCc1noc(C2CCCN(C(=O)c3ccccc3N3CCOCC3)C2)n1.
What is the InChIKey of [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is SVGUUZLVXGCNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-27-12-8-19-22-20(29-23-19)16-5-4-9-25(15-16)21(26)17-6-2-3-7-18(17)24-10-13-28-14-11-24/h2-3,6-7,16H,4-5,8-15H2,1H3.
What are the key properties of [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone?
[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 400.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 131948357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).