1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide

C21H25ClN4O3 — CID 24791003

IUPAC1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1
InChIInChI=1S/C21H25ClN4O3/c22-16-6-4-15(5-7-16)21(10-2-11-21)20-25-24-17(29-20)8-9-18(27)26-12-1-3-14(13-26)19(23)28/h4-7,14H,1-3,8-13H2,(H2,23,28)
InChIKeyZWFALFFUFNHZJE-UHFFFAOYSA-N
MW416.91 g/mol
LogP2.85
Rot. Bonds6

About 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide

1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide (PubChem CID 24791003) has the molecular formula C21H25ClN4O3 and a molecular weight of 416.91 g/mol. Its IUPAC name is 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide
PubChem CID24791003
Molecular FormulaC21H25ClN4O3
Molecular Weight416.91 g/mol
Exact Mass416.16
IUPAC Name1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1
InChIInChI=1S/C21H25ClN4O3/c22-16-6-4-15(5-7-16)21(10-2-11-21)20-25-24-17(29-20)8-9-18(27)26-12-1-3-14(13-26)19(23)28/h4-7,14H,1-3,8-13H2,(H2,23,28)
InChIKeyZWFALFFUFNHZJE-UHFFFAOYSA-N
XLogP2.85
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide (CID 24791003) is 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1.
What is the InChIKey of 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide?
The InChIKey is ZWFALFFUFNHZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3/c22-16-6-4-15(5-7-16)21(10-2-11-21)20-25-24-17(29-20)8-9-18(27)26-12-1-3-14(13-26)19(23)28/h4-7,14H,1-3,8-13H2,(H2,23,28).
What are the key properties of 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide?
1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 24791003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).