2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

C16H20N2O2 — CID 110771791

IUPAC2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1ccc2ncoc2c1
InChIInChI=1S/C16H20N2O2/c1-11-4-3-5-12(2)18(11)16(19)9-13-6-7-14-15(8-13)20-10-17-14/h6-8,10-12H,3-5,9H2,1-2H3
InChIKeyNYTUEILKTFGDJE-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.16
Rot. Bonds2

About 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 110771791) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID110771791
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)Cc1ccc2ncoc2c1
InChIInChI=1S/C16H20N2O2/c1-11-4-3-5-12(2)18(11)16(19)9-13-6-7-14-15(8-13)20-10-17-14/h6-8,10-12H,3-5,9H2,1-2H3
InChIKeyNYTUEILKTFGDJE-UHFFFAOYSA-N
XLogP3.16
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzoxazol-6-yl)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 110801713
4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 110813129
1-(2,6-dimethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399740
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
2-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43831264
2-(1,3-benzoxazol-6-yl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110802161
2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]cyclopropane-1-carboxylic acid
CID 117042722
2-(1,3-benzoxazol-6-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110771780
2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110771800
4-(1,3-benzoxazol-6-ylmethyl)benzoic acid
CID 116927202
2-(1,3-benzoxazol-5-yl)-N-cyclopentylacetamide
CID 162432742
2-(1,3-benzoxazol-6-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 110771869

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 110771791) is 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)Cc1ccc2ncoc2c1.
What is the InChIKey of 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is NYTUEILKTFGDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-4-3-5-12(2)18(11)16(19)9-13-6-7-14-15(8-13)20-10-17-14/h6-8,10-12H,3-5,9H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110771791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).