1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid

C16H22N2O3 — CID 107273458

IUPAC1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)CCc1ccccc1N
InChIInChI=1S/C16H22N2O3/c1-11-10-13(16(20)21)8-9-18(11)15(19)7-6-12-4-2-3-5-14(12)17/h2-5,11,13H,6-10,17H2,1H3,(H,20,21)
InChIKeyJXKVSVZSRJYQKP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.91
Rot. Bonds4

About 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid

1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 107273458) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID107273458
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)CCc1ccccc1N
InChIInChI=1S/C16H22N2O3/c1-11-10-13(16(20)21)8-9-18(11)15(19)7-6-12-4-2-3-5-14(12)17/h2-5,11,13H,6-10,17H2,1H3,(H,20,21)
InChIKeyJXKVSVZSRJYQKP-UHFFFAOYSA-N
XLogP1.91
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-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

1-[3-(3-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106742921
1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107273461
2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 106742049
3-(2-aminophenyl)-1-(2-phenylazepan-1-yl)propan-1-one
CID 120609446
1-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 167883500
1-butanoyl-2-methylpiperidine-4-carboxylic acid
CID 106741752
3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747
3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
CID 122081287
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one
CID 120610961
1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106742122
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120610960
3-(2-aminophenyl)-1-(2-methyl-3-phenylthiomorpholin-4-yl)propan-1-one
CID 120611078

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid (CID 107273458) is 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)CCc1ccccc1N.
What is the InChIKey of 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is JXKVSVZSRJYQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-10-13(16(20)21)8-9-18(11)15(19)7-6-12-4-2-3-5-14(12)17/h2-5,11,13H,6-10,17H2,1H3,(H,20,21).
What are the key properties of 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid?
1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 107273458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).