2-aminobenzamide;piperidine-1-carboxylic acid

C13H19N3O3 — CID 174784714

IUPAC2-aminobenzamide;piperidine-1-carboxylic acid
SMILESNC(=O)c1ccccc1N.O=C(O)N1CCCCC1
InChIInChI=1S/C7H8N2O.C6H11NO2/c8-6-4-2-1-3-5(6)7(9)10;8-6(9)7-4-2-1-3-5-7/h1-4H,8H2,(H2,9,10);1-5H2,(H,8,9)
InChIKeyJROIGLDITACXIK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.52
Rot. Bonds1

About 2-aminobenzamide;piperidine-1-carboxylic acid

2-aminobenzamide;piperidine-1-carboxylic acid (PubChem CID 174784714) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-aminobenzamide;piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-aminobenzamide;piperidine-1-carboxylic acid
PubChem CID174784714
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-aminobenzamide;piperidine-1-carboxylic acid
SMILESNC(=O)c1ccccc1N.O=C(O)N1CCCCC1
InChIInChI=1S/C7H8N2O.C6H11NO2/c8-6-4-2-1-3-5(6)7(9)10;8-6(9)7-4-2-1-3-5-7/h1-4H,8H2,(H2,9,10);1-5H2,(H,8,9)
InChIKeyJROIGLDITACXIK-UHFFFAOYSA-N
XLogP1.52
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
2,3-dimethylbenzamide;piperidine-1-carboxylic acid
CID 174249980
bis(2-aminobenzamide);platinum(2+)
CID 50912239
2-aminobenzamide;piperazine
CID 174878244
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
(1-oxo-1-piperidin-1-ylpropan-2-yl) 2-aminobenzoate
CID 61322981
2-aminobenzoic acid;urea
CID 158027537
2-aminobenzamide;benzenecarbothioamide
CID 175524927
2-aminobenzoic acid;carbamic acid;hydrochloride
CID 67293810
bis(2-aminobenzoic acid);nickel
CID 73156847
CID 172796646
CID 172796646

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;piperidine-1-carboxylic acid?
The IUPAC name of 2-aminobenzamide;piperidine-1-carboxylic acid (CID 174784714) is 2-aminobenzamide;piperidine-1-carboxylic acid.
What is the SMILES notation for 2-aminobenzamide;piperidine-1-carboxylic acid?
The canonical SMILES for 2-aminobenzamide;piperidine-1-carboxylic acid is NC(=O)c1ccccc1N.O=C(O)N1CCCCC1.
What is the InChIKey of 2-aminobenzamide;piperidine-1-carboxylic acid?
The InChIKey is JROIGLDITACXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C6H11NO2/c8-6-4-2-1-3-5(6)7(9)10;8-6(9)7-4-2-1-3-5-7/h1-4H,8H2,(H2,9,10);1-5H2,(H,8,9).
What are the key properties of 2-aminobenzamide;piperidine-1-carboxylic acid?
2-aminobenzamide;piperidine-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.52, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzamide;piperidine-1-carboxylic acid is sourced from PubChem (CID 174784714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).