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

C26H30N4O3 — CID 42629041

IUPAC[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc([C@@H]2C[C@H](c3nc(-c4ccccc4)no3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C26H30N4O3/c1-2-19-8-10-20(11-9-19)22-16-23(18-30(17-22)26(31)29-12-14-32-15-13-29)25-27-24(28-33-25)21-6-4-3-5-7-21/h3-11,22-23H,2,12-18H2,1H3/t22-,23+/m1/s1
InChIKeySXRZOFYPGQUXBH-PKTZIBPZSA-N
MW446.55 g/mol
LogP4.32
Rot. Bonds4

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

[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 42629041) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is [(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID42629041
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCc1ccc([C@@H]2C[C@H](c3nc(-c4ccccc4)no3)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C26H30N4O3/c1-2-19-8-10-20(11-9-19)22-16-23(18-30(17-22)26(31)29-12-14-32-15-13-29)25-27-24(28-33-25)21-6-4-3-5-7-21/h3-11,22-23H,2,12-18H2,1H3/t22-,23+/m1/s1
InChIKeySXRZOFYPGQUXBH-PKTZIBPZSA-N
XLogP4.32
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002312
[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002361
[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002212
5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
CID 86666091
morpholin-4-yl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]methanone
CID 58002278
[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
[3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002255
cyclopentyl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-5-(4-propan-2-ylphenyl)piperidin-1-yl]methanone
CID 58002320
ethyl 2-[5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate
CID 58002411
[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-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002685

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone (CID 42629041) is [(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone is CCc1ccc([C@@H]2C[C@H](c3nc(-c4ccccc4)no3)CN(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of [(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is SXRZOFYPGQUXBH-PKTZIBPZSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-2-19-8-10-20(11-9-19)22-16-23(18-30(17-22)26(31)29-12-14-32-15-13-29)25-27-24(28-33-25)21-6-4-3-5-7-21/h3-11,22-23H,2,12-18H2,1H3/t22-,23+/m1/s1.
What are the key properties of [(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 446.55 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42629041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).