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

C13H17N3O2 — CID 63663722

IUPAC2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide
SMILESNC(=O)c1ccccc1CNC1CCC(=O)NC1
InChIInChI=1S/C13H17N3O2/c14-13(18)11-4-2-1-3-9(11)7-15-10-5-6-12(17)16-8-10/h1-4,10,15H,5-8H2,(H2,14,18)(H,16,17)
InChIKeyTZLNZAXJAFZSBG-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.15
Rot. Bonds4

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

2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide (PubChem CID 63663722) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide
PubChem CID63663722
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide
SMILESNC(=O)c1ccccc1CNC1CCC(=O)NC1
InChIInChI=1S/C13H17N3O2/c14-13(18)11-4-2-1-3-9(11)7-15-10-5-6-12(17)16-8-10/h1-4,10,15H,5-8H2,(H2,14,18)(H,16,17)
InChIKeyTZLNZAXJAFZSBG-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(naphthalen-1-ylmethylamino)piperidin-2-one
CID 63378732
5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one
CID 63378589
2-[(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-ylamino)methyl]benzamide
CID 175877743
2-(2-fluorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490622
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
CID 80700614
N'-hydroxy-4-[[(6-oxopiperidin-3-yl)amino]methyl]benzenecarboximidamide
CID 77027848
5-[(2-fluoro-3-nitrophenyl)methylamino]piperidin-2-one
CID 107349177
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
5-(furan-2-ylmethylamino)piperidin-2-one
CID 63378593
N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
CID 114155218
N-(6-oxopiperidin-3-yl)naphthalene-1-carboxamide
CID 62491603
5-[[(6-oxopiperidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 103250865

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide?
The IUPAC name of 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide (CID 63663722) is 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide.
What is the SMILES notation for 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide?
The canonical SMILES for 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide is NC(=O)c1ccccc1CNC1CCC(=O)NC1.
What is the InChIKey of 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide?
The InChIKey is TZLNZAXJAFZSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-13(18)11-4-2-1-3-9(11)7-15-10-5-6-12(17)16-8-10/h1-4,10,15H,5-8H2,(H2,14,18)(H,16,17).
What are the key properties of 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide?
2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide is sourced from PubChem (CID 63663722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).