2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide

C15H19N3O3 — CID 108523389

IUPAC2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide
SMILESCC1CCCCN1C(=O)C(=O)NC(=O)c1ccccc1N
InChIInChI=1S/C15H19N3O3/c1-10-6-4-5-9-18(10)15(21)14(20)17-13(19)11-7-2-3-8-12(11)16/h2-3,7-8,10H,4-6,9,16H2,1H3,(H,17,19,20)
InChIKeyJCAGSMHOIQJIHR-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.93
Rot. Bonds1

About 2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide

2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide (PubChem CID 108523389) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide
PubChem CID108523389
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide
SMILESCC1CCCCN1C(=O)C(=O)NC(=O)c1ccccc1N
InChIInChI=1S/C15H19N3O3/c1-10-6-4-5-9-18(10)15(21)14(20)17-13(19)11-7-2-3-8-12(11)16/h2-3,7-8,10H,4-6,9,16H2,1H3,(H,17,19,20)
InChIKeyJCAGSMHOIQJIHR-UHFFFAOYSA-N
XLogP0.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.93
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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Related Compounds

2-amino-N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoacetyl]benzamide
CID 108524895
2-amino-N-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoacetyl]benzamide
CID 108529491
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
2-amino-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119946474
2-amino-N-(2-morpholin-4-yl-2-oxoacetyl)benzamide
CID 108509747
N-(2-aminobenzoyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503788
N-(2-amino-4-methylphenyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523458
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
CID 101455065
butyl 2-[[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]amino]benzoate
CID 108514590
2-(2-methylpiperidin-1-yl)-N-naphthalen-1-yl-2-oxoacetamide
CID 108523375

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide?
The IUPAC name of 2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide (CID 108523389) is 2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide?
The canonical SMILES for 2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide is CC1CCCCN1C(=O)C(=O)NC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide?
The InChIKey is JCAGSMHOIQJIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-6-4-5-9-18(10)15(21)14(20)17-13(19)11-7-2-3-8-12(11)16/h2-3,7-8,10H,4-6,9,16H2,1H3,(H,17,19,20).
What are the key properties of 2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide?
2-amino-N-[2-(2-methylpiperidin-1-yl)-2-oxoacetyl]benzamide has a molecular weight of 289.33 g/mol, XLogP of 0.93, 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-methylpiperidin-1-yl)-2-oxoacetyl]benzamide is sourced from PubChem (CID 108523389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).