5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid

C15H21N3O3 — CID 79323581

IUPAC5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)CN2CCC(N)CC2)cc1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-10-2-3-12(8-13(10)15(20)21)17-14(19)9-18-6-4-11(16)5-7-18/h2-3,8,11H,4-7,9,16H2,1H3,(H,17,19)(H,20,21)
InChIKeyUCHNOBGGRADEHC-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.05
Rot. Bonds4

About 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid

5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid (PubChem CID 79323581) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid
PubChem CID79323581
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid
SMILESCc1ccc(NC(=O)CN2CCC(N)CC2)cc1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-10-2-3-12(8-13(10)15(20)21)17-14(19)9-18-6-4-11(16)5-7-18/h2-3,8,11H,4-7,9,16H2,1H3,(H,17,19)(H,20,21)
InChIKeyUCHNOBGGRADEHC-UHFFFAOYSA-N
XLogP1.05
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic 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-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
5-[(2-cyclobutylacetyl)amino]-2-methylbenzoic acid
CID 113352851
2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
CID 119907721
2-(4-aminopiperidin-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 79322239
2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid
CID 154746397
2-(3-aminopiperidin-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 61298131
2-(4-aminopiperidin-1-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 119908193
2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 79327970
2-(4-aminopiperidin-1-yl)-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 118227484
2-(4-aminopiperidin-1-yl)-N-(3,5-difluorophenyl)acetamide
CID 43556684
5-[[2-(ethylamino)acetyl]amino]-2-methylbenzoic acid
CID 63653512
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid (CID 79323581) is 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid is Cc1ccc(NC(=O)CN2CCC(N)CC2)cc1C(=O)O.
What is the InChIKey of 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid?
The InChIKey is UCHNOBGGRADEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-2-3-12(8-13(10)15(20)21)17-14(19)9-18-6-4-11(16)5-7-18/h2-3,8,11H,4-7,9,16H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid?
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 79323581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).