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

C14H17NO3 — CID 754891

IUPAC1-(2-methylbenzoyl)piperidine-4-carboxylic acid
SMILESCc1ccccc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c1-10-4-2-3-5-12(10)13(16)15-8-6-11(7-9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyZDLGPPDQCGOJTL-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.93
Rot. Bonds2

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

1-(2-methylbenzoyl)piperidine-4-carboxylic acid (PubChem CID 754891) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylbenzoyl)piperidine-4-carboxylic acid
PubChem CID754891
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-(2-methylbenzoyl)piperidine-4-carboxylic acid
SMILESCc1ccccc1C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H17NO3/c1-10-4-2-3-5-12(10)13(16)15-8-6-11(7-9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyZDLGPPDQCGOJTL-UHFFFAOYSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methylbenzoyl)piperidine-4-carboxylic acid (CID 754891) is 1-(2-methylbenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methylbenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methylbenzoyl)piperidine-4-carboxylic acid is Cc1ccccc1C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)piperidine-4-carboxylic acid?
The InChIKey is ZDLGPPDQCGOJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-4-2-3-5-12(10)13(16)15-8-6-11(7-9-15)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18).
What are the key properties of 1-(2-methylbenzoyl)piperidine-4-carboxylic acid?
1-(2-methylbenzoyl)piperidine-4-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 754891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).