3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one

C23H28ClN3O3 — CID 24816707

IUPAC3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1
InChIInChI=1S/C23H28ClN3O3/c1-2-19(28)16-5-3-14-27(15-16)21(29)11-10-20-25-26-22(30-20)23(12-4-13-23)17-6-8-18(24)9-7-17/h6-9,16H,2-5,10-15H2,1H3
InChIKeyYWHJUVMCJPRETP-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.34
Rot. Bonds7

About 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one

3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one (PubChem CID 24816707) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
PubChem CID24816707
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1
InChIInChI=1S/C23H28ClN3O3/c1-2-19(28)16-5-3-14-27(15-16)21(29)11-10-20-25-26-22(30-20)23(12-4-13-23)17-6-8-18(24)9-7-17/h6-9,16H,2-5,10-15H2,1H3
InChIKeyYWHJUVMCJPRETP-UHFFFAOYSA-N
XLogP4.34
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one (CID 24816707) is 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one is CCC(=O)C1CCCN(C(=O)CCc2nnc(C3(c4ccc(Cl)cc4)CCC3)o2)C1.
What is the InChIKey of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The InChIKey is YWHJUVMCJPRETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-2-19(28)16-5-3-14-27(15-16)21(29)11-10-20-25-26-22(30-20)23(12-4-13-23)17-6-8-18(24)9-7-17/h6-9,16H,2-5,10-15H2,1H3.
What are the key properties of 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one has a molecular weight of 429.95 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(4-chlorophenyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 24816707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).