1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid

C14H25NO5 — CID 118309756

IUPAC1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
SMILESCOCC1(C(=O)O)CCN(C(=O)OCC(C)(C)C)CC1
InChIInChI=1S/C14H25NO5/c1-13(2,3)9-20-12(18)15-7-5-14(6-8-15,10-19-4)11(16)17/h5-10H2,1-4H3,(H,16,17)
InChIKeyCCRLHABQBXEFSL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.98
Rot. Bonds4

About 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid

1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid (PubChem CID 118309756) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
PubChem CID118309756
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
SMILESCOCC1(C(=O)O)CCN(C(=O)OCC(C)(C)C)CC1
InChIInChI=1S/C14H25NO5/c1-13(2,3)9-20-12(18)15-7-5-14(6-8-15,10-19-4)11(16)17/h5-10H2,1-4H3,(H,16,17)
InChIKeyCCRLHABQBXEFSL-UHFFFAOYSA-N
XLogP1.98
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-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-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid (CID 118309756) is 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid is COCC1(C(=O)O)CCN(C(=O)OCC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid?
The InChIKey is CCRLHABQBXEFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-13(2,3)9-20-12(18)15-7-5-14(6-8-15,10-19-4)11(16)17/h5-10H2,1-4H3,(H,16,17).
What are the key properties of 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid?
1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropoxycarbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118309756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).