pyrrolidine-1-carbonyl piperazine-1-carboxylate

C10H17N3O3 — CID 169258310

IUPACpyrrolidine-1-carbonyl piperazine-1-carboxylate
SMILESO=C(OC(=O)N1CCNCC1)N1CCCC1
InChIInChI=1S/C10H17N3O3/c14-9(12-5-1-2-6-12)16-10(15)13-7-3-11-4-8-13/h11H,1-8H2
InChIKeyJRFDFLKWMYCGQK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.24
Rot. Bonds

About pyrrolidine-1-carbonyl piperazine-1-carboxylate

pyrrolidine-1-carbonyl piperazine-1-carboxylate (PubChem CID 169258310) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is pyrrolidine-1-carbonyl piperazine-1-carboxylate.

Molecular Properties

Compound Namepyrrolidine-1-carbonyl piperazine-1-carboxylate
PubChem CID169258310
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namepyrrolidine-1-carbonyl piperazine-1-carboxylate
SMILESO=C(OC(=O)N1CCNCC1)N1CCCC1
InChIInChI=1S/C10H17N3O3/c14-9(12-5-1-2-6-12)16-10(15)13-7-3-11-4-8-13/h11H,1-8H2
InChIKeyJRFDFLKWMYCGQK-UHFFFAOYSA-N
XLogP0.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.24
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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Related Compounds

cyclopentanecarbonyl piperazine-1-carboxylate
CID 118918508
pyrrolidin-1-yl piperazine-1-carboxylate
CID 173164040
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
azepan-1-yl(piperazin-1-yl)methanone;hydrochloride
CID 2992287
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
carboxy piperidine-1-carboxylate
CID 154126035
[2-(1-hydroxycyclohexyl)acetyl] piperazine-1-carboxylate
CID 174524646
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 14938690
(1-amino-2-cyanoethenyl) piperazine-1-carboxylate
CID 145343574
ethane;propan-2-yl piperazine-1-carboxylate
CID 142145252

Frequently Asked Questions

What is the IUPAC name of pyrrolidine-1-carbonyl piperazine-1-carboxylate?
The IUPAC name of pyrrolidine-1-carbonyl piperazine-1-carboxylate (CID 169258310) is pyrrolidine-1-carbonyl piperazine-1-carboxylate.
What is the SMILES notation for pyrrolidine-1-carbonyl piperazine-1-carboxylate?
The canonical SMILES for pyrrolidine-1-carbonyl piperazine-1-carboxylate is O=C(OC(=O)N1CCNCC1)N1CCCC1.
What is the InChIKey of pyrrolidine-1-carbonyl piperazine-1-carboxylate?
The InChIKey is JRFDFLKWMYCGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-9(12-5-1-2-6-12)16-10(15)13-7-3-11-4-8-13/h11H,1-8H2.
What are the key properties of pyrrolidine-1-carbonyl piperazine-1-carboxylate?
pyrrolidine-1-carbonyl piperazine-1-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidine-1-carbonyl piperazine-1-carboxylate is sourced from PubChem (CID 169258310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).