1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

C17H21N3O3 — CID 2999070

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESCC1CC(C)CN(C(=O)COc2ccc(-c3nnco3)cc2)C1
InChIInChI=1S/C17H21N3O3/c1-12-7-13(2)9-20(8-12)16(21)10-22-15-5-3-14(4-6-15)17-19-18-11-23-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeyYYMRJHWUUOXNBQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.62
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (PubChem CID 2999070) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
PubChem CID2999070
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESCC1CC(C)CN(C(=O)COc2ccc(-c3nnco3)cc2)C1
InChIInChI=1S/C17H21N3O3/c1-12-7-13(2)9-20(8-12)16(21)10-22-15-5-3-14(4-6-15)17-19-18-11-23-17/h3-6,11-13H,7-10H2,1-2H3
InChIKeyYYMRJHWUUOXNBQ-UHFFFAOYSA-N
XLogP2.62
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (CID 2999070) is 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is CC1CC(C)CN(C(=O)COc2ccc(-c3nnco3)cc2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The InChIKey is YYMRJHWUUOXNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-7-13(2)9-20(8-12)16(21)10-22-15-5-3-14(4-6-15)17-19-18-11-23-17/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone has a molecular weight of 315.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is sourced from PubChem (CID 2999070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).