1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid

C12H20N2O3 — CID 22646452

IUPAC1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(10-3-1-2-6-13-10)14-7-4-9(5-8-14)12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyYNPXRLCIISJFFA-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds2

About 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid

1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid (PubChem CID 22646452) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid
PubChem CID22646452
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C12H20N2O3/c15-11(10-3-1-2-6-13-10)14-7-4-9(5-8-14)12(16)17/h9-10,13H,1-8H2,(H,16,17)
InChIKeyYNPXRLCIISJFFA-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid (CID 22646452) is 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is YNPXRLCIISJFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(10-3-1-2-6-13-10)14-7-4-9(5-8-14)12(16)17/h9-10,13H,1-8H2,(H,16,17).
What are the key properties of 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid?
1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-2-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 22646452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).