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

C15H18N4O2 — CID 83279327

IUPACN-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCNC[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H18N4O2/c1-10(20)17-13-7-8-16-9-12(13)15-18-14(19-21-15)11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3,(H,17,20)/t12-,13+/m0/s1
InChIKeySHPDOUMMEHSAGL-QWHCGFSZSA-N
MW286.33 g/mol
LogP1.32
Rot. Bonds3

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

N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide (PubChem CID 83279327) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide
PubChem CID83279327
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide
SMILESCC(=O)N[C@@H]1CCNC[C@@H]1c1nc(-c2ccccc2)no1
InChIInChI=1S/C15H18N4O2/c1-10(20)17-13-7-8-16-9-12(13)15-18-14(19-21-15)11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3,(H,17,20)/t12-,13+/m0/s1
InChIKeySHPDOUMMEHSAGL-QWHCGFSZSA-N
XLogP1.32
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide (CID 83279327) is N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide is CC(=O)N[C@@H]1CCNC[C@@H]1c1nc(-c2ccccc2)no1.
What is the InChIKey of N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide?
The InChIKey is SHPDOUMMEHSAGL-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(20)17-13-7-8-16-9-12(13)15-18-14(19-21-15)11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3,(H,17,20)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide?
N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide has a molecular weight of 286.33 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 83279327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).