3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid

C14H19N3O3 — CID 115934550

IUPAC3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
SMILESCNC(=O)C1CCCCN1c1c(N)cccc1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-16-13(18)11-7-2-3-8-17(11)12-9(14(19)20)5-4-6-10(12)15/h4-6,11H,2-3,7-8,15H2,1H3,(H,16,18)(H,19,20)
InChIKeyFOPZRXHBKVPACT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.07
Rot. Bonds3

About 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid

3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid (PubChem CID 115934550) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid.

Molecular Properties

Compound Name3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
PubChem CID115934550
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
SMILESCNC(=O)C1CCCCN1c1c(N)cccc1C(=O)O
InChIInChI=1S/C14H19N3O3/c1-16-13(18)11-7-2-3-8-17(11)12-9(14(19)20)5-4-6-10(12)15/h4-6,11H,2-3,7-8,15H2,1H3,(H,16,18)(H,19,20)
InChIKeyFOPZRXHBKVPACT-UHFFFAOYSA-N
XLogP1.07
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-2-carboxamide
CID 107105615
1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide
CID 83065847
4-chloro-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 114845024
1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 54985518
1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide
CID 115992520
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
1-(4-amino-2,6-difluorophenyl)-N-methylpyrrolidine-2-carboxamide
CID 54986454
1-(3,4-diaminophenyl)-N-methylpyrrolidine-2-carboxamide
CID 106750593
3-amino-2-(2-ethylpiperidin-1-yl)benzamide
CID 112578014
3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
CID 115935490
1-[(3-amino-2-methylphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 54985708
methyl 3-amino-2-[2-(hydroxymethyl)azepan-1-yl]benzoate
CID 116636830

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid?
The IUPAC name of 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid (CID 115934550) is 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid.
What is the SMILES notation for 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid?
The canonical SMILES for 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid is CNC(=O)C1CCCCN1c1c(N)cccc1C(=O)O.
What is the InChIKey of 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid?
The InChIKey is FOPZRXHBKVPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-13(18)11-7-2-3-8-17(11)12-9(14(19)20)5-4-6-10(12)15/h4-6,11H,2-3,7-8,15H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid?
3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid is sourced from PubChem (CID 115934550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).