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

C27H36N4O3 — CID 123989644

IUPACazetidin-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
SMILESCC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCC5)CC4)cc3)CC2)n1
InChIInChI=1S/C27H36N4O3/c1-19(2)25-28-27(34-29-25)31-16-12-20(13-17-31)18-33-24-10-8-22(9-11-24)21-4-6-23(7-5-21)26(32)30-14-3-15-30/h4,8-11,19-20,23H,3,5-7,12-18H2,1-2H3
InChIKeyDXIMSIIDACQPKF-UHFFFAOYSA-N
MW464.61 g/mol
LogP4.90
Rot. Bonds7

About 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

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 (PubChem CID 123989644) has the molecular formula C27H36N4O3 and a molecular weight of 464.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameazetidin-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
PubChem CID123989644
Molecular FormulaC27H36N4O3
Molecular Weight464.61 g/mol
Exact Mass464.28
IUPAC Nameazetidin-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
SMILESCC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCC5)CC4)cc3)CC2)n1
InChIInChI=1S/C27H36N4O3/c1-19(2)25-28-27(34-29-25)31-16-12-20(13-17-31)18-33-24-10-8-22(9-11-24)21-4-6-23(7-5-21)26(32)30-14-3-15-30/h4,8-11,19-20,23H,3,5-7,12-18H2,1-2H3
InChIKeyDXIMSIIDACQPKF-UHFFFAOYSA-N
XLogP4.90
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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
2-(4-Ethoxyphenyl)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-YL]methyl}piperidin-1-YL)ethan-1-one
CID 91888755
[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
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
1-[(2R)-2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenoxyethanone
CID 118738061
4-({5-[2-(2-Methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-YL}methyl)-1-methylpiperidine
CID 56702230
3-(3-Methoxyphenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 72021543
4-(3-Fluorophenoxy)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 72147281
N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]chromane-3-carboxamide
CID 72917650
N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylchromane-3-carboxamide
CID 72934427
1-(3-{5-[(2-Fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidin-1-YL)-3-phenylpropan-1-one
CID 91907942
2-(2-Fluorophenyl)-1-[3-[5-[(4-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]ethanone
CID 124042258

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCC5)CC4)cc3)CC2)n1.
What is the InChIKey of 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?
The InChIKey is DXIMSIIDACQPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O3/c1-19(2)25-28-27(34-29-25)31-16-12-20(13-17-31)18-33-24-10-8-22(9-11-24)21-4-6-23(7-5-21)26(32)30-14-3-15-30/h4,8-11,19-20,23H,3,5-7,12-18H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 464.61 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123989644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).