1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid

C15H20N2O4 — CID 115413220

IUPAC1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)c(N)c1
InChIInChI=1S/C15H20N2O4/c1-15(14(19)20)6-3-7-17(9-15)13(18)11-5-4-10(21-2)8-12(11)16/h4-5,8H,3,6-7,9,16H2,1-2H3,(H,19,20)
InChIKeyLYCPZYMHQDBDBL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.60
Rot. Bonds3

About 1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid

1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 115413220) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID115413220
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)c(N)c1
InChIInChI=1S/C15H20N2O4/c1-15(14(19)20)6-3-7-17(9-15)13(18)11-5-4-10(21-2)8-12(11)16/h4-5,8H,3,6-7,9,16H2,1-2H3,(H,19,20)
InChIKeyLYCPZYMHQDBDBL-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 ≤ 500292.34
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-methylazepan-1-yl)methanone
CID 107404373
(2-amino-4-methoxyphenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355975
1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146777
1-(2-amino-4-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 115413224
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
(2-amino-4-methoxyphenyl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 115413231
1-(2-amino-5-methoxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 115413219
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 82546755
3-methyl-1-(2,3,4-trifluorobenzoyl)piperidine-3-carboxylic acid
CID 79757244
1-[2-(4-methoxyphenyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 63133873
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid (CID 115413220) is 1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid is COc1ccc(C(=O)N2CCCC(C)(C(=O)O)C2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is LYCPZYMHQDBDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(14(19)20)6-3-7-17(9-15)13(18)11-5-4-10(21-2)8-12(11)16/h4-5,8H,3,6-7,9,16H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid?
1-(2-amino-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 292.34 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-4-methoxybenzoyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 115413220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).