3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide

C13H18N4O2 — CID 112579126

IUPAC3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
SMILESCN1CC(Nc2c(N)cccc2C(N)=O)CCC1=O
InChIInChI=1S/C13H18N4O2/c1-17-7-8(5-6-11(17)18)16-12-9(13(15)19)3-2-4-10(12)14/h2-4,8,16H,5-7,14H2,1H3,(H2,15,19)
InChIKeyGOIFSNHILIQIRC-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.40
Rot. Bonds3

About 3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide

3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide (PubChem CID 112579126) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
PubChem CID112579126
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide
SMILESCN1CC(Nc2c(N)cccc2C(N)=O)CCC1=O
InChIInChI=1S/C13H18N4O2/c1-17-7-8(5-6-11(17)18)16-12-9(13(15)19)3-2-4-10(12)14/h2-4,8,16H,5-7,14H2,1H3,(H2,15,19)
InChIKeyGOIFSNHILIQIRC-UHFFFAOYSA-N
XLogP0.40
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
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-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide?
The IUPAC name of 3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide (CID 112579126) is 3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide?
The canonical SMILES for 3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide is CN1CC(Nc2c(N)cccc2C(N)=O)CCC1=O.
What is the InChIKey of 3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide?
The InChIKey is GOIFSNHILIQIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17-7-8(5-6-11(17)18)16-12-9(13(15)19)3-2-4-10(12)14/h2-4,8,16H,5-7,14H2,1H3,(H2,15,19).
What are the key properties of 3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide?
3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide has a molecular weight of 262.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(1-methyl-6-oxopiperidin-3-yl)amino]benzamide is sourced from PubChem (CID 112579126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).