4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid

C10H16N2O5 — CID 91107404

IUPAC4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid
SMILESCN(C)C(=O)C1(C(=O)O)CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O5/c1-11(2)7(13)10(8(14)15)3-5-12(6-4-10)9(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNFVNENIDHNMNMB-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.08
Rot. Bonds2

About 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid

4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid (PubChem CID 91107404) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid
PubChem CID91107404
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid
SMILESCN(C)C(=O)C1(C(=O)O)CCN(C(=O)O)CC1
InChIInChI=1S/C10H16N2O5/c1-11(2)7(13)10(8(14)15)3-5-12(6-4-10)9(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyNFVNENIDHNMNMB-UHFFFAOYSA-N
XLogP-0.08
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic 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 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid?
The IUPAC name of 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid (CID 91107404) is 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid?
The canonical SMILES for 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid is CN(C)C(=O)C1(C(=O)O)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid?
The InChIKey is NFVNENIDHNMNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-11(2)7(13)10(8(14)15)3-5-12(6-4-10)9(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid?
4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid has a molecular weight of 244.25 g/mol, XLogP of -0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylcarbamoyl)piperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 91107404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).