3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid

C14H19N3O3 — CID 68520586

IUPAC3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
SMILESNc1ccc(C(=O)NCC2CCCN(C(=O)O)C2)cc1
InChIInChI=1S/C14H19N3O3/c15-12-5-3-11(4-6-12)13(18)16-8-10-2-1-7-17(9-10)14(19)20/h3-6,10H,1-2,7-9,15H2,(H,16,18)(H,19,20)
InChIKeyNHJAWRADCZYMDJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.39
Rot. Bonds3

About 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid

3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 68520586) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID68520586
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
SMILESNc1ccc(C(=O)NCC2CCCN(C(=O)O)C2)cc1
InChIInChI=1S/C14H19N3O3/c15-12-5-3-11(4-6-12)13(18)16-8-10-2-1-7-17(9-10)14(19)20/h3-6,10H,1-2,7-9,15H2,(H,16,18)(H,19,20)
InChIKeyNHJAWRADCZYMDJ-UHFFFAOYSA-N
XLogP1.39
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic 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

4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
N-[[1-(2-cyclohexylacetyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 45208544
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 119313467
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
2-[1-(4-aminobenzoyl)piperidin-3-yl]acetic acid
CID 62690994
N-[[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45182249
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 120991772
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
CID 119766235

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid (CID 68520586) is 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid is Nc1ccc(C(=O)NCC2CCCN(C(=O)O)C2)cc1.
What is the InChIKey of 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is NHJAWRADCZYMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-12-5-3-11(4-6-12)13(18)16-8-10-2-1-7-17(9-10)14(19)20/h3-6,10H,1-2,7-9,15H2,(H,16,18)(H,19,20).
What are the key properties of 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid?
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68520586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).