1-(2-aminobenzoyl)piperidine-4-carboxylic acid

C13H16N2O3 — CID 1211390

IUPAC1-(2-aminobenzoyl)piperidine-4-carboxylic acid
SMILESNc1ccccc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H16N2O3/c14-11-4-2-1-3-10(11)12(16)15-7-5-9(6-8-15)13(17)18/h1-4,9H,5-8,14H2,(H,17,18)
InChIKeyMFMDWUTVSOCZJZ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.21
Rot. Bonds2

About 1-(2-aminobenzoyl)piperidine-4-carboxylic acid

1-(2-aminobenzoyl)piperidine-4-carboxylic acid (PubChem CID 1211390) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(2-aminobenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminobenzoyl)piperidine-4-carboxylic acid
PubChem CID1211390
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(2-aminobenzoyl)piperidine-4-carboxylic acid
SMILESNc1ccccc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H16N2O3/c14-11-4-2-1-3-10(11)12(16)15-7-5-9(6-8-15)13(17)18/h1-4,9H,5-8,14H2,(H,17,18)
InChIKeyMFMDWUTVSOCZJZ-UHFFFAOYSA-N
XLogP1.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
1-(2-amino-4-bromobenzoyl)piperidine-4-carboxylic acid
CID 79722642
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801
1-(2-amino-5-bromobenzoyl)piperidine-4-carboxylic acid
CID 110451174
[1-(2-aminobenzoyl)piperidin-4-yl]carbamic acid
CID 170325086
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
(2-aminophenyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119944243
(2-aminophenyl)-(4-cyclopentyloxypiperidin-1-yl)methanone;hydrochloride
CID 119945190
1-(2-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 119945231

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-aminobenzoyl)piperidine-4-carboxylic acid (CID 1211390) is 1-(2-aminobenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-aminobenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-aminobenzoyl)piperidine-4-carboxylic acid is Nc1ccccc1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-aminobenzoyl)piperidine-4-carboxylic acid?
The InChIKey is MFMDWUTVSOCZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-11-4-2-1-3-10(11)12(16)15-7-5-9(6-8-15)13(17)18/h1-4,9H,5-8,14H2,(H,17,18).
What are the key properties of 1-(2-aminobenzoyl)piperidine-4-carboxylic acid?
1-(2-aminobenzoyl)piperidine-4-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 1211390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).