1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one

C23H25N3O3 — CID 42112850

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1CCC[C@H](O)C1
InChIInChI=1S/C23H25N3O3/c27-20-7-4-14-26(16-20)23(28)13-12-21-24-25-22(29-21)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,27H,4,7,12-16H2/t20-/m0/s1
InChIKeyPHLJTPOLVAUWMS-FQEVSTJZSA-N
MW391.47 g/mol
LogP3.24
Rot. Bonds6

About 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one

1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 42112850) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID42112850
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1CCC[C@H](O)C1
InChIInChI=1S/C23H25N3O3/c27-20-7-4-14-26(16-20)23(28)13-12-21-24-25-22(29-21)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,27H,4,7,12-16H2/t20-/m0/s1
InChIKeyPHLJTPOLVAUWMS-FQEVSTJZSA-N
XLogP3.24
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42119384
N-cyclopentyl-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 42556889
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
3-(2-chlorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93032761
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 95590153
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110334636
1-(3-methylpiperidin-1-yl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330418
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224750
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-1-(3-phenylmethoxypiperidin-1-yl)propan-1-one
CID 45222622
1-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 25457319
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one (CID 42112850) is 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one is O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is PHLJTPOLVAUWMS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-20-7-4-14-26(16-20)23(28)13-12-21-24-25-22(29-21)15-17-8-10-19(11-9-17)18-5-2-1-3-6-18/h1-3,5-6,8-11,20,27H,4,7,12-16H2/t20-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one?
1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 391.47 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypiperidin-1-yl]-3-[5-[(4-phenylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 42112850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).