2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide

C16H21N3O3 — CID 108524895

IUPAC2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide
SMILESCC1CCCC(C)N1C(=O)C(=O)NC(=O)c1ccccc1N
InChIInChI=1S/C16H21N3O3/c1-10-6-5-7-11(2)19(10)16(22)15(21)18-14(20)12-8-3-4-9-13(12)17/h3-4,8-11H,5-7,17H2,1-2H3,(H,18,20,21)
InChIKeyHMAAJGGKVJCBNY-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.31
Rot. Bonds1

About 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide

2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide (PubChem CID 108524895) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide
PubChem CID108524895
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide
SMILESCC1CCCC(C)N1C(=O)C(=O)NC(=O)c1ccccc1N
InChIInChI=1S/C16H21N3O3/c1-10-6-5-7-11(2)19(10)16(22)15(21)18-14(20)12-8-3-4-9-13(12)17/h3-4,8-11H,5-7,17H2,1-2H3,(H,18,20,21)
InChIKeyHMAAJGGKVJCBNY-UHFFFAOYSA-N
XLogP1.31
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide?
The IUPAC name of 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide (CID 108524895) is 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide is CC1CCCC(C)N1C(=O)C(=O)NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide?
The InChIKey is HMAAJGGKVJCBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-6-5-7-11(2)19(10)16(22)15(21)18-14(20)12-8-3-4-9-13(12)17/h3-4,8-11H,5-7,17H2,1-2H3,(H,18,20,21).
What are the key properties of 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide?
2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide has a molecular weight of 303.36 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide is sourced from PubChem (CID 108524895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).