1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid

C15H20N2O4 — CID 115413219

IUPAC1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)N2CCC(C)(C(=O)O)CC2)c1
InChIInChI=1S/C15H20N2O4/c1-15(14(19)20)5-7-17(8-6-15)13(18)11-9-10(21-2)3-4-12(11)16/h3-4,9H,5-8,16H2,1-2H3,(H,19,20)
InChIKeyDFRQJBWGVISPRJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid

1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 115413219) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID115413219
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
SMILESCOc1ccc(N)c(C(=O)N2CCC(C)(C(=O)O)CC2)c1
InChIInChI=1S/C15H20N2O4/c1-15(14(19)20)5-7-17(8-6-15)13(18)11-9-10(21-2)3-4-12(11)16/h3-4,9H,5-8,16H2,1-2H3,(H,19,20)
InChIKeyDFRQJBWGVISPRJ-UHFFFAOYSA-N
XLogP1.60
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115413223
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146777
1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 115413220
(2-amino-5-methoxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 54878519
(2-amino-5-methoxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55152751
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
(2-amino-5-methoxyphenyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61114234
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 115413231
(2-amino-5-methoxyphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 61218408
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404373
(2-amino-4-methoxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355975

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid (CID 115413219) is 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid is COc1ccc(N)c(C(=O)N2CCC(C)(C(=O)O)CC2)c1.
What is the InChIKey of 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is DFRQJBWGVISPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(14(19)20)5-7-17(8-6-15)13(18)11-9-10(21-2)3-4-12(11)16/h3-4,9H,5-8,16H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid?
1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 115413219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).