4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid

C12H20N2O4 — CID 67217641

IUPAC4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)13-5-1-9(2-6-13)10-3-7-14(8-4-10)12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeyHMAJTMQTXLJPMZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.77
Rot. Bonds1

About 4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid

4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid (PubChem CID 67217641) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid
PubChem CID67217641
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2CCN(C(=O)O)CC2)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)13-5-1-9(2-6-13)10-3-7-14(8-4-10)12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18)
InChIKeyHMAJTMQTXLJPMZ-UHFFFAOYSA-N
XLogP1.77
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1-carboxypiperidin-4-yl)piperidine-1-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-carboxypiperidin-4-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid (CID 67217641) is 4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(C2CCN(C(=O)O)CC2)CC1.
What is the InChIKey of 4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid?
The InChIKey is HMAJTMQTXLJPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(16)13-5-1-9(2-6-13)10-3-7-14(8-4-10)12(17)18/h9-10H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid?
4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-carboxypiperidin-4-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67217641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).