6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one

C17H18ClN3O2 — CID 75379486

IUPAC6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one
SMILESCN1C(=O)CCC(c2nc(C3CC3)no2)C1c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-21-14(22)8-7-13(15(21)11-3-2-4-12(18)9-11)17-19-16(20-23-17)10-5-6-10/h2-4,9-10,13,15H,5-8H2,1H3
InChIKeyLKMDBRGMPDTDNA-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.68
Rot. Bonds3

About 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one

6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one (PubChem CID 75379486) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one
PubChem CID75379486
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one
SMILESCN1C(=O)CCC(c2nc(C3CC3)no2)C1c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2/c1-21-14(22)8-7-13(15(21)11-3-2-4-12(18)9-11)17-19-16(20-23-17)10-5-6-10/h2-4,9-10,13,15H,5-8H2,1H3
InChIKeyLKMDBRGMPDTDNA-UHFFFAOYSA-N
XLogP3.68
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one?
The IUPAC name of 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one (CID 75379486) is 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one.
What is the SMILES notation for 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one?
The canonical SMILES for 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one is CN1C(=O)CCC(c2nc(C3CC3)no2)C1c1cccc(Cl)c1.
What is the InChIKey of 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one?
The InChIKey is LKMDBRGMPDTDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-21-14(22)8-7-13(15(21)11-3-2-4-12(18)9-11)17-19-16(20-23-17)10-5-6-10/h2-4,9-10,13,15H,5-8H2,1H3.
What are the key properties of 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one?
6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one has a molecular weight of 331.80 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-methylpiperidin-2-one is sourced from PubChem (CID 75379486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).