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

C23H32N4O4 — CID 58002312

IUPAC[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C2CC(c3nc(CCOC)no3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C23H32N4O4/c1-3-17-4-6-18(7-5-17)19-14-20(22-24-21(25-31-22)8-11-29-2)16-27(15-19)23(28)26-9-12-30-13-10-26/h4-7,19-20H,3,8-16H2,1-2H3
InChIKeyMBFYYRJHDNQSFG-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.85
Rot. Bonds6

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

[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 58002312) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID58002312
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc(C2CC(c3nc(CCOC)no3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C23H32N4O4/c1-3-17-4-6-18(7-5-17)19-14-20(22-24-21(25-31-22)8-11-29-2)16-27(15-19)23(28)26-9-12-30-13-10-26/h4-7,19-20H,3,8-16H2,1-2H3
InChIKeyMBFYYRJHDNQSFG-UHFFFAOYSA-N
XLogP2.85
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58116518
morpholin-4-yl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002278
[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 42629041
[3-[4-(2,2-difluoroethyl)phenyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1,1-dihydroxy-1,4-thiazinan-4-yl)methanone
CID 68774356
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002375
[3-(4-ethylphenyl)-5-[3-(2-methoxyethoxy)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 58116520
3-[4-(2,2-difluoroethyl)phenyl]-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 123848208
[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002361
[3-(3-ethoxy-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 58116470
morpholin-4-yl-[3-[3-(oxetan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 58116508
5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
CID 86666091
ethyl [5-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl] carbonate
CID 67084287

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 58002312) is [3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone is CCc1ccc(C2CC(c3nc(CCOC)no3)CN(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is MBFYYRJHDNQSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-3-17-4-6-18(7-5-17)19-14-20(22-24-21(25-31-22)8-11-29-2)16-27(15-19)23(28)26-9-12-30-13-10-26/h4-7,19-20H,3,8-16H2,1-2H3.
What are the key properties of [3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 428.53 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58002312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).