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

C14H18N2O4 — CID 82546755

IUPAC1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)O)C2)c(N)c1
InChIInChI=1S/C14H18N2O4/c1-20-10-4-5-11(12(15)7-10)13(17)16-6-2-3-9(8-16)14(18)19/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,18,19)
InChIKeyCYJLYCXLQFVUKF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.21
Rot. Bonds3

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

1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid (PubChem CID 82546755) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
PubChem CID82546755
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)O)C2)c(N)c1
InChIInChI=1S/C14H18N2O4/c1-20-10-4-5-11(12(15)7-10)13(17)16-6-2-3-9(8-16)14(18)19/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,18,19)
InChIKeyCYJLYCXLQFVUKF-UHFFFAOYSA-N
XLogP1.21
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.21
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-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103195267
1-(2-hydroxy-5-methoxybenzoyl)piperidine-3-carboxylic acid
CID 43355913
(3S)-1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 51885492
1-(2,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 43092130
(2-amino-4-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 115413263
(3S)-1-(2,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113499
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
(3S)-1-(3,5-dimethoxybenzoyl)piperidine-3-carboxylic acid
CID 858669
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 120514204
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
(3S)-1-(2,3,4-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113565

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid (CID 82546755) is 1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid is COc1ccc(C(=O)N2CCCC(C(=O)O)C2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid?
The InChIKey is CYJLYCXLQFVUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-10-4-5-11(12(15)7-10)13(17)16-6-2-3-9(8-16)14(18)19/h4-5,7,9H,2-3,6,8,15H2,1H3,(H,18,19).
What are the key properties of 1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid?
1-(2-amino-4-methoxybenzoyl)piperidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.21, 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)piperidine-3-carboxylic acid is sourced from PubChem (CID 82546755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).