1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride

C11H20ClN3O3 — CID 42962337

IUPAC1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H19N3O3.ClH/c15-10(16)9-1-5-13(6-2-9)11(17)14-7-3-12-4-8-14;/h9,12H,1-8H2,(H,15,16);1H
InChIKeyRHRGGZXYVXTFFP-UHFFFAOYSA-N
MW277.75 g/mol
LogP0.23
Rot. Bonds1

About 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride

1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 42962337) has the molecular formula C11H20ClN3O3 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID42962337
Molecular FormulaC11H20ClN3O3
Molecular Weight277.75 g/mol
Exact Mass277.12
IUPAC Name1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCN(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C11H19N3O3.ClH/c15-10(16)9-1-5-13(6-2-9)11(17)14-7-3-12-4-8-14;/h9,12H,1-8H2,(H,15,16);1H
InChIKeyRHRGGZXYVXTFFP-UHFFFAOYSA-N
XLogP0.23
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride 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-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride (CID 42962337) is 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCN(C(=O)N2CCNCC2)CC1.
What is the InChIKey of 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is RHRGGZXYVXTFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3.ClH/c15-10(16)9-1-5-13(6-2-9)11(17)14-7-3-12-4-8-14;/h9,12H,1-8H2,(H,15,16);1H.
What are the key properties of 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride?
1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperazine-1-carbonyl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 42962337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).