piperidine-1-carbonyl piperazine-1-carboxylate

C11H19N3O3 — CID 166498509

IUPACpiperidine-1-carbonyl piperazine-1-carboxylate
SMILESO=C(OC(=O)N1CCNCC1)N1CCCCC1
InChIInChI=1S/C11H19N3O3/c15-10(13-6-2-1-3-7-13)17-11(16)14-8-4-12-5-9-14/h12H,1-9H2
InChIKeyVREOMCWUMADIFL-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.63
Rot. Bonds

About piperidine-1-carbonyl piperazine-1-carboxylate

piperidine-1-carbonyl piperazine-1-carboxylate (PubChem CID 166498509) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is piperidine-1-carbonyl piperazine-1-carboxylate.

Molecular Properties

Compound Namepiperidine-1-carbonyl piperazine-1-carboxylate
PubChem CID166498509
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Namepiperidine-1-carbonyl piperazine-1-carboxylate
SMILESO=C(OC(=O)N1CCNCC1)N1CCCCC1
InChIInChI=1S/C11H19N3O3/c15-10(13-6-2-1-3-7-13)17-11(16)14-8-4-12-5-9-14/h12H,1-9H2
InChIKeyVREOMCWUMADIFL-UHFFFAOYSA-N
XLogP0.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine-1-carbonyl piperazine-1-carboxylate?
The IUPAC name of piperidine-1-carbonyl piperazine-1-carboxylate (CID 166498509) is piperidine-1-carbonyl piperazine-1-carboxylate.
What is the SMILES notation for piperidine-1-carbonyl piperazine-1-carboxylate?
The canonical SMILES for piperidine-1-carbonyl piperazine-1-carboxylate is O=C(OC(=O)N1CCNCC1)N1CCCCC1.
What is the InChIKey of piperidine-1-carbonyl piperazine-1-carboxylate?
The InChIKey is VREOMCWUMADIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c15-10(13-6-2-1-3-7-13)17-11(16)14-8-4-12-5-9-14/h12H,1-9H2.
What are the key properties of piperidine-1-carbonyl piperazine-1-carboxylate?
piperidine-1-carbonyl piperazine-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carbonyl piperazine-1-carboxylate is sourced from PubChem (CID 166498509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).