2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid

C14H18N2O3 — CID 62690994

IUPAC2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
SMILESNc1ccc(C(=O)N2CCCC(CC(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c15-12-5-3-11(4-6-12)14(19)16-7-1-2-10(9-16)8-13(17)18/h3-6,10H,1-2,7-9,15H2,(H,17,18)
InChIKeyBJCINTYYRUPWQO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.60
Rot. Bonds3

About 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid

2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid (PubChem CID 62690994) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
PubChem CID62690994
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
SMILESNc1ccc(C(=O)N2CCCC(CC(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c15-12-5-3-11(4-6-12)14(19)16-7-1-2-10(9-16)8-13(17)18/h3-6,10H,1-2,7-9,15H2,(H,17,18)
InChIKeyBJCINTYYRUPWQO-UHFFFAOYSA-N
XLogP1.60
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid 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

2-[1-(2-aminobenzoyl)piperidin-3-yl]acetic acid
CID 55105002
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
2-[1-(thiophene-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690225
[3-(aminomethyl)azetidin-1-yl]-(4-aminophenyl)methanone
CID 123420430
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
2-[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689740
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 68520586
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
3-[1-(4-sulfamoylbenzoyl)piperidin-3-yl]propanoic acid
CID 90649672
2-[(3S)-1-[2-(3-aminophenyl)acetyl]piperidin-3-yl]acetic acid
CID 124512791
[3-(bromomethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80661392

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid (CID 62690994) is 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid is Nc1ccc(C(=O)N2CCCC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid?
The InChIKey is BJCINTYYRUPWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-12-5-3-11(4-6-12)14(19)16-7-1-2-10(9-16)8-13(17)18/h3-6,10H,1-2,7-9,15H2,(H,17,18).
What are the key properties of 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid?
2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).