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

C19H24N4O2 — CID 71652339

IUPAC[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C19H24N4O2/c24-19(22-11-5-2-6-12-22)23-13-7-10-16(14-23)18-20-17(21-25-18)15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2/t16-/m0/s1
InChIKeyKFRSTRPYMQGFBE-INIZCTEOSA-N
MW340.43 g/mol
LogP3.52
Rot. Bonds2

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

[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone (PubChem CID 71652339) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone
PubChem CID71652339
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1
InChIInChI=1S/C19H24N4O2/c24-19(22-11-5-2-6-12-22)23-13-7-10-16(14-23)18-20-17(21-25-18)15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2/t16-/m0/s1
InChIKeyKFRSTRPYMQGFBE-INIZCTEOSA-N
XLogP3.52
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone (CID 71652339) is [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1CCC[C@H](c2nc(-c3ccccc3)no2)C1.
What is the InChIKey of [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is KFRSTRPYMQGFBE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(22-11-5-2-6-12-22)23-13-7-10-16(14-23)18-20-17(21-25-18)15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2/t16-/m0/s1.
What are the key properties of [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone?
[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 340.43 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71652339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).