3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole

C29H37N3O — CID 25204685

IUPAC3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(C(CCN2CCC(Cc3nc(C4CCCCC4)no3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H37N3O/c1-4-10-24(11-5-1)27(25-12-6-2-7-13-25)18-21-32-19-16-23(17-20-32)22-28-30-29(31-33-28)26-14-8-3-9-15-26/h1-2,4-7,10-13,23,26-27H,3,8-9,14-22H2
InChIKeyZDPUEDVLAZHAAR-UHFFFAOYSA-N
MW443.64 g/mol
LogP6.59
Rot. Bonds8

About 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole

3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole (PubChem CID 25204685) has the molecular formula C29H37N3O and a molecular weight of 443.64 g/mol. Its IUPAC name is 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
PubChem CID25204685
Molecular FormulaC29H37N3O
Molecular Weight443.64 g/mol
Exact Mass443.29
IUPAC Name3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole
SMILESc1ccc(C(CCN2CCC(Cc3nc(C4CCCCC4)no3)CC2)c2ccccc2)cc1
InChIInChI=1S/C29H37N3O/c1-4-10-24(11-5-1)27(25-12-6-2-7-13-25)18-21-32-19-16-23(17-20-32)22-28-30-29(31-33-28)26-14-8-3-9-15-26/h1-2,4-7,10-13,23,26-27H,3,8-9,14-22H2
InChIKeyZDPUEDVLAZHAAR-UHFFFAOYSA-N
XLogP6.59
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.64
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 25204681
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
2-chloro-4-[[4-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methyl]benzoic acid
CID 136555512
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-phenylmethanone
CID 90641474
1-(3,3-diphenylpropyl)azepane;hydrochloride
CID 3084164
[(1R)-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]urea
CID 100611253
(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 154785236
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 91811095
N-[2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 60837266
5-[(1-ethylpyrrolidin-3-yl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115077313

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole (CID 25204685) is 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole is c1ccc(C(CCN2CCC(Cc3nc(C4CCCCC4)no3)CC2)c2ccccc2)cc1.
What is the InChIKey of 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ZDPUEDVLAZHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O/c1-4-10-24(11-5-1)27(25-12-6-2-7-13-25)18-21-32-19-16-23(17-20-32)22-28-30-29(31-33-28)26-14-8-3-9-15-26/h1-2,4-7,10-13,23,26-27H,3,8-9,14-22H2.
What are the key properties of 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole?
3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 443.64 g/mol, XLogP of 6.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[[1-(3,3-diphenylpropyl)piperidin-4-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25204685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).