4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid

C15H20N2O4 — CID 63876200

IUPAC4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)COC1CCNCC1
InChIInChI=1S/C15H20N2O4/c1-10-2-3-11(15(19)20)8-13(10)17-14(18)9-21-12-4-6-16-7-5-12/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZBWUKIJCFKUQJU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.40
Rot. Bonds5

About 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid

4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid (PubChem CID 63876200) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid
PubChem CID63876200
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)COC1CCNCC1
InChIInChI=1S/C15H20N2O4/c1-10-2-3-11(15(19)20)8-13(10)17-14(18)9-21-12-4-6-16-7-5-12/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZBWUKIJCFKUQJU-UHFFFAOYSA-N
XLogP1.40
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875683
N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide
CID 63876197
4-fluoro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875509
4-chloro-3-[(2-piperidin-4-yloxyacetyl)amino]benzamide
CID 63875333
2-piperidin-4-yloxy-N-(2,4,6-trimethylphenyl)acetamide
CID 39062816
N-(2-methyl-4-nitrophenyl)-2-piperidin-4-yloxyacetamide
CID 63876721
N-(2-tert-butylphenyl)-2-piperidin-4-yloxyacetamide
CID 63876023
N-[3-(dimethylamino)-4-methylphenyl]-2-piperidin-4-yloxyacetamide
CID 115377256
N-(4-methyl-1H-pyrazol-5-yl)-2-piperidin-4-yloxyacetamide
CID 113433668
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
3-[3-(cyclopropylamino)propanoylamino]-4-methylbenzoic acid
CID 60867475

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid?
The IUPAC name of 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid (CID 63876200) is 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid?
The canonical SMILES for 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)COC1CCNCC1.
What is the InChIKey of 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid?
The InChIKey is ZBWUKIJCFKUQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-2-3-11(15(19)20)8-13(10)17-14(18)9-21-12-4-6-16-7-5-12/h2-3,8,12,16H,4-7,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid?
4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-piperidin-4-yloxyacetyl)amino]benzoic acid is sourced from PubChem (CID 63876200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).