1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid

C15H19NO3 — CID 18072995

IUPAC1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-10-6-7-11(2)12(9-10)14(17)16-8-4-3-5-13(16)15(18)19/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyXHPIKUSGNLRKCF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.38
Rot. Bonds2

About 1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid

1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid (PubChem CID 18072995) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
PubChem CID18072995
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19NO3/c1-10-6-7-11(2)12(9-10)14(17)16-8-4-3-5-13(16)15(18)19/h6-7,9,13H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyXHPIKUSGNLRKCF-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 62514425
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(2S)-1-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid
CID 41273099
[2-(bromomethyl)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 80658369
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
1-(2,3-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 16790921
1-(4-methoxy-2-methylbenzoyl)piperidine-2-carboxylic acid
CID 119175727
(2S)-1-(2-methoxy-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 110834780
(2R)-1-(2,4-dimethyl-5-nitrobenzoyl)piperidine-2-carboxylic acid
CID 122108496
(2R)-1-(2-cyclopropyl-6-methylquinoline-4-carbonyl)piperidine-2-carboxylic acid
CID 120537401
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 79034345

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid (CID 18072995) is 1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid is Cc1ccc(C)c(C(=O)N2CCCCC2C(=O)O)c1.
What is the InChIKey of 1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid?
The InChIKey is XHPIKUSGNLRKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-6-7-11(2)12(9-10)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-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid?
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18072995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).