3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one

C23H31N3O3 — CID 45222622

IUPAC3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(C2CCCCC2)o1)N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C23H31N3O3/c27-22(14-13-21-24-25-23(29-21)19-10-5-2-6-11-19)26-15-7-12-20(16-26)28-17-18-8-3-1-4-9-18/h1,3-4,8-9,19-20H,2,5-7,10-17H2
InChIKeyMBTTYNVUFDZFEJ-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.26
Rot. Bonds7

About 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one

3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one (PubChem CID 45222622) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one
PubChem CID45222622
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(C2CCCCC2)o1)N1CCCC(OCc2ccccc2)C1
InChIInChI=1S/C23H31N3O3/c27-22(14-13-21-24-25-23(29-21)19-10-5-2-6-11-19)26-15-7-12-20(16-26)28-17-18-8-3-1-4-9-18/h1,3-4,8-9,19-20H,2,5-7,10-17H2
InChIKeyMBTTYNVUFDZFEJ-UHFFFAOYSA-N
XLogP4.26
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

3-phenyl-1-[(3R)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 92574587
6-methyl-1-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyridin-2-one
CID 74232921
1-[3-(2-ethoxyethoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 46028730
1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42112850
1-[3-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110235628
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
1-(3-phenylmethoxyazetidin-1-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70707923
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
1-(azepan-1-yl)-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42119384
2-methoxy-1-[(3S)-3-(3-phenylmethoxyazetidine-1-carbonyl)piperidin-1-yl]ethanone
CID 97208983
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 70763009
5-benzyl-5-[3-oxo-3-(3-phenylmethoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 45218860

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one (CID 45222622) is 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one is O=C(CCc1nnc(C2CCCCC2)o1)N1CCCC(OCc2ccccc2)C1.
What is the InChIKey of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one?
The InChIKey is MBTTYNVUFDZFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c27-22(14-13-21-24-25-23(29-21)19-10-5-2-6-11-19)26-15-7-12-20(16-26)28-17-18-8-3-1-4-9-18/h1,3-4,8-9,19-20H,2,5-7,10-17H2.
What are the key properties of 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one?
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one has a molecular weight of 397.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 45222622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).