4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid

C14H25N3O4 — CID 114505225

IUPAC4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-9-6-16(2)5-4-11(9)15-14(20)17(3)12-8-21-7-10(12)13(18)19/h9-12H,4-8H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySGPATHVKQBERNW-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.07
Rot. Bonds3

About 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid

4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 114505225) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID114505225
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-9-6-16(2)5-4-11(9)15-14(20)17(3)12-8-21-7-10(12)13(18)19/h9-12H,4-8H2,1-3H3,(H,15,20)(H,18,19)
InChIKeySGPATHVKQBERNW-UHFFFAOYSA-N
XLogP0.07
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-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 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid (CID 114505225) is 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid is CC1CN(C)CCC1NC(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is SGPATHVKQBERNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9-6-16(2)5-4-11(9)15-14(20)17(3)12-8-21-7-10(12)13(18)19/h9-12H,4-8H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid?
4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dimethylpiperidin-4-yl)carbamoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 114505225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).