1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid

C12H22N2O3 — CID 106742306

IUPAC1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8-7-9(10(15)16)5-6-14(8)11(17)13-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyPATZCNQLGUYMLU-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.68
Rot. Bonds1

About 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid

1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742306) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742306
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-8-7-9(10(15)16)5-6-14(8)11(17)13-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyPATZCNQLGUYMLU-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid (CID 106742306) is 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)NC(C)(C)C.
What is the InChIKey of 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is PATZCNQLGUYMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-7-9(10(15)16)5-6-14(8)11(17)13-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid?
1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).