2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole

C22H31N3O2 — CID 129478967

IUPAC2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
SMILESC[C@@H](Cc1ccccc1)CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1
InChIInChI=1S/C22H31N3O2/c1-17(15-18-7-3-2-4-8-18)16-25-12-6-5-9-20(25)22-24-23-21(27-22)19-10-13-26-14-11-19/h2-4,7-8,17,19-20H,5-6,9-16H2,1H3/t17-,20+/m0/s1
InChIKeyGKUUSKOUOSNOLC-FXAWDEMLSA-N
MW369.51 g/mol
LogP4.37
Rot. Bonds6

About 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole

2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole (PubChem CID 129478967) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
PubChem CID129478967
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole
SMILESC[C@@H](Cc1ccccc1)CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1
InChIInChI=1S/C22H31N3O2/c1-17(15-18-7-3-2-4-8-18)16-25-12-6-5-9-20(25)22-24-23-21(27-22)19-10-13-26-14-11-19/h2-4,7-8,17,19-20H,5-6,9-16H2,1H3/t17-,20+/m0/s1
InChIKeyGKUUSKOUOSNOLC-FXAWDEMLSA-N
XLogP4.37
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole with MolForge

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Related Compounds

(5-ethylfuran-2-yl)-[2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128990688
[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 129479115
2-[[(2R)-2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methyl]benzonitrile
CID 129486880
2-cyclobutyl-5-[(2R)-1-(thiophen-3-ylmethyl)piperidin-2-yl]-1,3,4-oxadiazole
CID 129486644
(1-tert-butyl-1,2,4-triazol-3-yl)-[(2S)-2-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 129345198
(2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid
CID 122124952
dimethyl-[4-(2-methyl-3-piperidin-1-ylpropyl)phenyl]-phenylsilane
CID 13292194
(3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 129381784
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
1-[2-[5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 110083144
1-[(2R)-2-[5-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 125017606
(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine
CID 70416000

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole (CID 129478967) is 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole is C[C@@H](Cc1ccccc1)CN1CCCC[C@@H]1c1nnc(C2CCOCC2)o1.
What is the InChIKey of 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
The InChIKey is GKUUSKOUOSNOLC-FXAWDEMLSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17(15-18-7-3-2-4-8-18)16-25-12-6-5-9-20(25)22-24-23-21(27-22)19-10-13-26-14-11-19/h2-4,7-8,17,19-20H,5-6,9-16H2,1H3/t17-,20+/m0/s1.
What are the key properties of 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole?
2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole has a molecular weight of 369.51 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(2S)-2-methyl-3-phenylpropyl]piperidin-2-yl]-5-(oxan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 129478967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).