1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid

C16H21NO4 — CID 104595293

IUPAC1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H21NO4/c1-11-6-7-13(21-3)12(10-11)14(18)17-9-5-4-8-16(17,2)15(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyRUGXQYAYQKQUKY-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.47
Rot. Bonds3

About 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid

1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 104595293) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID104595293
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOc1ccc(C)cc1C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C16H21NO4/c1-11-6-7-13(21-3)12(10-11)14(18)17-9-5-4-8-16(17,2)15(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyRUGXQYAYQKQUKY-UHFFFAOYSA-N
XLogP2.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-methoxybenzoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115368656
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(2-methoxy-5-methylphenyl)methanone
CID 66243975
1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597866
4-(2-methoxy-5-methylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 63608428
2-(2-methoxy-5-methylphenyl)spiro[3.4]octane-2-carboxylic acid
CID 65003014
1-[(2-chloro-4-methylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597878
(1-hydroxycyclohexyl)-(2-methoxy-5-methylphenyl)methanone
CID 103449621
2-methyl-1-(2,4,6-trifluorobenzoyl)piperidine-2-carboxylic acid
CID 104595393
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 31363177
methyl 4-(2-methoxy-5-methylbenzoyl)piperazine-1-carboxylate
CID 110803244
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 117011695

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid (CID 104595293) is 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid is COc1ccc(C)cc1C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is RUGXQYAYQKQUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-6-7-13(21-3)12(10-11)14(18)17-9-5-4-8-16(17,2)15(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid?
1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylbenzoyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 104595293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).