1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid

C15H19NO4 — CID 119175727

IUPAC1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCCC2C(=O)O)c(C)c1
InChIInChI=1S/C15H19NO4/c1-10-9-11(20-2)6-7-12(10)14(17)16-8-4-3-5-13(16)15(18)19/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyMBJCQQHMRIBTOM-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.08
Rot. Bonds3

About 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid

1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid (PubChem CID 119175727) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
PubChem CID119175727
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCCC2C(=O)O)c(C)c1
InChIInChI=1S/C15H19NO4/c1-10-9-11(20-2)6-7-12(10)14(17)16-8-4-3-5-13(16)15(18)19/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyMBJCQQHMRIBTOM-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-amino-5-methoxybenzoyl)piperidine-2-carboxylic acid
CID 115413469
1-(4-bromo-2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 43629559
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(2S)-1-(2-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 110834780
2-(4-methoxy-2-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195598
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
(2R)-1-(2,4-dimethyl-5-nitrobenzoyl)piperidine-2-carboxylic acid
CID 122108496
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 79034345
(2S)-1-(3-bromo-4-methylbenzoyl)piperidine-2-carboxylic acid
CID 81472429
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid (CID 119175727) is 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid is COc1ccc(C(=O)N2CCCCC2C(=O)O)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid?
The InChIKey is MBJCQQHMRIBTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-9-11(20-2)6-7-12(10)14(17)16-8-4-3-5-13(16)15(18)19/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid?
1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 119175727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).