1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C24H29N3O2 — CID 71652338

IUPAC1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](c2nc(-c3ccccc3)no2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29N3O2/c28-23(24-12-16-9-17(13-24)11-18(10-16)14-24)27-8-4-7-20(15-27)22-25-21(26-29-22)19-5-2-1-3-6-19/h1-3,5-6,16-18,20H,4,7-15H2/t16?,17?,18?,20-,24?/m0/s1
InChIKeyOHVVGYPVCJINME-BSFBHTCNSA-N
MW391.52 g/mol
LogP4.66
Rot. Bonds3

About 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 71652338) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID71652338
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@H](c2nc(-c3ccccc3)no2)C1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29N3O2/c28-23(24-12-16-9-17(13-24)11-18(10-16)14-24)27-8-4-7-20(15-27)22-25-21(26-29-22)19-5-2-1-3-6-19/h1-3,5-6,16-18,20H,4,7-15H2/t16?,17?,18?,20-,24?/m0/s1
InChIKeyOHVVGYPVCJINME-BSFBHTCNSA-N
XLogP4.66
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 71652338) is 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is O=C(N1CCC[C@H](c2nc(-c3ccccc3)no2)C1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is OHVVGYPVCJINME-BSFBHTCNSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-23(24-12-16-9-17(13-24)11-18(10-16)14-24)27-8-4-7-20(15-27)22-25-21(26-29-22)19-5-2-1-3-6-19/h1-3,5-6,16-18,20H,4,7-15H2/t16?,17?,18?,20-,24?/m0/s1.
What are the key properties of 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 391.52 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71652338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).