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

C15H19NO4 — CID 114421987

IUPAC1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCOc1cccc(C(=O)N2CCC(C)CC2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-10-6-7-16(13(8-10)15(18)19)14(17)11-4-3-5-12(9-11)20-2/h3-5,9-10,13H,6-8H2,1-2H3,(H,18,19)
InChIKeyZKVNWJTWJRJZOJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.02
Rot. Bonds3

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

1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114421987) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114421987
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCOc1cccc(C(=O)N2CCC(C)CC2C(=O)O)c1
InChIInChI=1S/C15H19NO4/c1-10-6-7-16(13(8-10)15(18)19)14(17)11-4-3-5-12(9-11)20-2/h3-5,9-10,13H,6-8H2,1-2H3,(H,18,19)
InChIKeyZKVNWJTWJRJZOJ-UHFFFAOYSA-N
XLogP2.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic 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

(2S,4S)-1-(3-methoxybenzoyl)-4-pyrrolidin-1-ylpiperidine-2-carboxylic acid
CID 97415451
1-(3-chlorobenzoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421672
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
1-(3H-benzimidazole-5-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421792
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 102787808
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181198
3-(3-methoxybenzoyl)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 3284316

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid (CID 114421987) is 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid is COc1cccc(C(=O)N2CCC(C)CC2C(=O)O)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is ZKVNWJTWJRJZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-6-7-16(13(8-10)15(18)19)14(17)11-4-3-5-12(9-11)20-2/h3-5,9-10,13H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid?
1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114421987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).