morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone

C28H38N4O4 — CID 123513095

IUPACmorpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
SMILESCC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCOCC5)CC4)cc3)CC2)n1
InChIInChI=1S/C28H38N4O4/c1-20(2)26-29-28(36-30-26)32-13-11-21(12-14-32)19-35-25-9-7-23(8-10-25)22-3-5-24(6-4-22)27(33)31-15-17-34-18-16-31/h3,7-10,20-21,24H,4-6,11-19H2,1-2H3
InChIKeyIZYKAMLGSJWIIA-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.53
Rot. Bonds7

About morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone

morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone (PubChem CID 123513095) has the molecular formula C28H38N4O4 and a molecular weight of 494.64 g/mol. Its IUPAC name is morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
PubChem CID123513095
Molecular FormulaC28H38N4O4
Molecular Weight494.64 g/mol
Exact Mass494.29
IUPAC Namemorpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
SMILESCC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCOCC5)CC4)cc3)CC2)n1
InChIInChI=1S/C28H38N4O4/c1-20(2)26-29-28(36-30-26)32-13-11-21(12-14-32)19-35-25-9-7-23(8-10-25)22-3-5-24(6-4-22)27(33)31-15-17-34-18-16-31/h3,7-10,20-21,24H,4-6,11-19H2,1-2H3
InChIKeyIZYKAMLGSJWIIA-UHFFFAOYSA-N
XLogP4.53
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-(azetidin-1-yl)-2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]ethanone
CID 70856302
1-[(3-Benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 16191124
N-benzyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 118712644
1-(3-{5-[(2-Fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidin-1-YL)-2-phenylethan-1-one
CID 91918564
4-{5-[(4-Methylphenoxy)methyl]-1,2,4-oxadiazol-3-YL}-N-propylpiperidine-1-carboxamide
CID 91909882
2-Cyclohexyl-1-(4-{5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidin-1-YL)ethan-1-one
CID 124043861
1-(4-{5-[(4-Fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidin-1-YL)-2-phenylethan-1-one
CID 124073861
[4-[4-[[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
CID 123287580
Azetidin-1-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 123989644
1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 118738061
N-methyl-2-(2-methylphenoxy)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 52227730
3-(3-Methoxyphenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 72021543

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone (CID 123513095) is morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone is CC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCOCC5)CC4)cc3)CC2)n1.
What is the InChIKey of morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone?
The InChIKey is IZYKAMLGSJWIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O4/c1-20(2)26-29-28(36-30-26)32-13-11-21(12-14-32)19-35-25-9-7-23(8-10-25)22-3-5-24(6-4-22)27(33)31-15-17-34-18-16-31/h3,7-10,20-21,24H,4-6,11-19H2,1-2H3.
What are the key properties of morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone?
morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone has a molecular weight of 494.64 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone is sourced from PubChem (CID 123513095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).