1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid

C13H22N2O3 — CID 53211438

IUPAC1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C13H22N2O3/c16-12(10-14-6-2-1-3-7-14)15-8-4-11(5-9-15)13(17)18/h11H,1-10H2,(H,17,18)
InChIKeyKMHYNMMGIILTNT-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.80
Rot. Bonds3

About 1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid

1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid (PubChem CID 53211438) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid
PubChem CID53211438
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CN2CCCCC2)CC1
InChIInChI=1S/C13H22N2O3/c16-12(10-14-6-2-1-3-7-14)15-8-4-11(5-9-15)13(17)18/h11H,1-10H2,(H,17,18)
InChIKeyKMHYNMMGIILTNT-UHFFFAOYSA-N
XLogP0.80
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-piperidin-1-ylacetyl)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-piperidin-1-ylacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid (CID 53211438) is 1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CN2CCCCC2)CC1.
What is the InChIKey of 1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid?
The InChIKey is KMHYNMMGIILTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(10-14-6-2-1-3-7-14)15-8-4-11(5-9-15)13(17)18/h11H,1-10H2,(H,17,18).
What are the key properties of 1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid?
1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 53211438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).