1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid

C15H20N2O3 — CID 81274508

IUPAC1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(C)(C(=O)O)CC2)ccc1C(N)=O
InChIInChI=1S/C15H20N2O3/c1-10-9-11(3-4-12(10)13(16)18)17-7-5-15(2,6-8-17)14(19)20/h3-4,9H,5-8H2,1-2H3,(H2,16,18)(H,19,20)
InChIKeyOKVRLKIYCYPZKL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.79
Rot. Bonds3

About 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid

1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 81274508) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID81274508
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid
SMILESCc1cc(N2CCC(C)(C(=O)O)CC2)ccc1C(N)=O
InChIInChI=1S/C15H20N2O3/c1-10-9-11(3-4-12(10)13(16)18)17-7-5-15(2,6-8-17)14(19)20/h3-4,9H,5-8H2,1-2H3,(H2,16,18)(H,19,20)
InChIKeyOKVRLKIYCYPZKL-UHFFFAOYSA-N
XLogP1.79
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid (CID 81274508) is 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid is Cc1cc(N2CCC(C)(C(=O)O)CC2)ccc1C(N)=O.
What is the InChIKey of 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is OKVRLKIYCYPZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-9-11(3-4-12(10)13(16)18)17-7-5-15(2,6-8-17)14(19)20/h3-4,9H,5-8H2,1-2H3,(H2,16,18)(H,19,20).
What are the key properties of 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid?
1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 81274508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).