1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid

C14H24N2O4 — CID 71089504

IUPAC1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)CN(C2(C(=O)O)CCNCC2)CCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-13(2)9-16(8-3-10(13)11(17)18)14(12(19)20)4-6-15-7-5-14/h10,15H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCFRYXHREPDBLNY-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.63
Rot. Bonds3

About 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid

1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid (PubChem CID 71089504) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid
PubChem CID71089504
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid
SMILESCC1(C)CN(C2(C(=O)O)CCNCC2)CCC1C(=O)O
InChIInChI=1S/C14H24N2O4/c1-13(2)9-16(8-3-10(13)11(17)18)14(12(19)20)4-6-15-7-5-14/h10,15H,3-9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCFRYXHREPDBLNY-UHFFFAOYSA-N
XLogP0.63
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-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-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid (CID 71089504) is 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid is CC1(C)CN(C2(C(=O)O)CCNCC2)CCC1C(=O)O.
What is the InChIKey of 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid?
The InChIKey is CFRYXHREPDBLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-13(2)9-16(8-3-10(13)11(17)18)14(12(19)20)4-6-15-7-5-14/h10,15H,3-9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid?
1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxypiperidin-4-yl)-3,3-dimethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 71089504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).