[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

C28H38N4O3 — CID 123287580

IUPAC[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
SMILESCC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCCC5)CC4)cc3)CC2)n1
InChIInChI=1S/C28H38N4O3/c1-20(2)26-29-28(35-30-26)32-17-13-21(14-18-32)19-34-25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(33)31-15-3-4-16-31/h5,9-12,20-21,24H,3-4,6-8,13-19H2,1-2H3
InChIKeyLBOMOXGCOFWDJL-UHFFFAOYSA-N
MW478.64 g/mol
LogP5.29
Rot. Bonds7

About [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

[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 (PubChem CID 123287580) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID123287580
Molecular FormulaC28H38N4O3
Molecular Weight478.64 g/mol
Exact Mass478.29
IUPAC Name[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
SMILESCC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCCC5)CC4)cc3)CC2)n1
InChIInChI=1S/C28H38N4O3/c1-20(2)26-29-28(35-30-26)32-17-13-21(14-18-32)19-34-25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(33)31-15-3-4-16-31/h5,9-12,20-21,24H,3-4,6-8,13-19H2,1-2H3
InChIKeyLBOMOXGCOFWDJL-UHFFFAOYSA-N
XLogP5.29
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.64
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
2-(4-Ethoxyphenyl)-1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-YL]methyl}piperidin-1-YL)ethan-1-one
CID 91888755
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
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
4-({5-[2-(2-Methoxyphenyl)ethyl]-1,2,4-oxadiazol-3-YL}methyl)-1-methylpiperidine
CID 56702230
1-[2-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 71928909
3-(3-Methoxyphenyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 72021543
1-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-4-(2-methylphenoxy)butan-1-one
CID 72123924
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)c1noc(N2CCC(COc3ccc(C4=CCC(C(=O)N5CCCC5)CC4)cc3)CC2)n1.
What is the InChIKey of [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?
The InChIKey is LBOMOXGCOFWDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-20(2)26-29-28(35-30-26)32-17-13-21(14-18-32)19-34-25-11-9-23(10-12-25)22-5-7-24(8-6-22)27(33)31-15-3-4-16-31/h5,9-12,20-21,24H,3-4,6-8,13-19H2,1-2H3.
What are the key properties of [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?
[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 has a molecular weight of 478.64 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 123287580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).