3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide

C12H16N4O2 — CID 112578755

IUPAC3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide
SMILESNC(=O)c1cccc(N)c1NC1CCCNC1=O
InChIInChI=1S/C12H16N4O2/c13-8-4-1-3-7(11(14)17)10(8)16-9-5-2-6-15-12(9)18/h1,3-4,9,16H,2,5-6,13H2,(H2,14,17)(H,15,18)
InChIKeyMPSHLNJNYOCQEH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.06
Rot. Bonds3

About 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide

3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide (PubChem CID 112578755) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide
PubChem CID112578755
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide
SMILESNC(=O)c1cccc(N)c1NC1CCCNC1=O
InChIInChI=1S/C12H16N4O2/c13-8-4-1-3-7(11(14)17)10(8)16-9-5-2-6-15-12(9)18/h1,3-4,9,16H,2,5-6,13H2,(H2,14,17)(H,15,18)
InChIKeyMPSHLNJNYOCQEH-UHFFFAOYSA-N
XLogP0.06
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide?
The IUPAC name of 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide (CID 112578755) is 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide?
The canonical SMILES for 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide is NC(=O)c1cccc(N)c1NC1CCCNC1=O.
What is the InChIKey of 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide?
The InChIKey is MPSHLNJNYOCQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-8-4-1-3-7(11(14)17)10(8)16-9-5-2-6-15-12(9)18/h1,3-4,9,16H,2,5-6,13H2,(H2,14,17)(H,15,18).
What are the key properties of 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide?
3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide has a molecular weight of 248.29 g/mol, XLogP of 0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-oxopiperidin-3-yl)amino]benzamide is sourced from PubChem (CID 112578755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).