pyrrolidin-1-yl piperazine-1-carboxylate

C9H17N3O2 — CID 173164040

IUPACpyrrolidin-1-yl piperazine-1-carboxylate
SMILESO=C(ON1CCCC1)N1CCNCC1
InChIInChI=1S/C9H17N3O2/c13-9(11-7-3-10-4-8-11)14-12-5-1-2-6-12/h10H,1-8H2
InChIKeyAZMYKBPCMOHCLD-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.04
Rot. Bonds1

About pyrrolidin-1-yl piperazine-1-carboxylate

pyrrolidin-1-yl piperazine-1-carboxylate (PubChem CID 173164040) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is pyrrolidin-1-yl piperazine-1-carboxylate.

Molecular Properties

Compound Namepyrrolidin-1-yl piperazine-1-carboxylate
PubChem CID173164040
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Namepyrrolidin-1-yl piperazine-1-carboxylate
SMILESO=C(ON1CCCC1)N1CCNCC1
InChIInChI=1S/C9H17N3O2/c13-9(11-7-3-10-4-8-11)14-12-5-1-2-6-12/h10H,1-8H2
InChIKeyAZMYKBPCMOHCLD-UHFFFAOYSA-N
XLogP0.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze pyrrolidin-1-yl piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidine-1-carbonyl piperazine-1-carboxylate
CID 169258310
pyrrolidin-1-yl 2-piperazin-1-ylacetate
CID 69133633
dipiperazin-1-yl oxalate
CID 57296724
cyclopentanecarbonyl piperazine-1-carboxylate
CID 118918508
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
azepan-1-yl(piperazin-1-yl)methanone;hydrochloride
CID 2992287
piperazin-1-yl acetate
CID 54492305
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 14938690
(4-cyclopentylpiperazin-1-yl) pyrrolidine-1-carboxylate
CID 91217548
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
1-(azetidin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 130547937
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl piperazine-1-carboxylate?
The IUPAC name of pyrrolidin-1-yl piperazine-1-carboxylate (CID 173164040) is pyrrolidin-1-yl piperazine-1-carboxylate.
What is the SMILES notation for pyrrolidin-1-yl piperazine-1-carboxylate?
The canonical SMILES for pyrrolidin-1-yl piperazine-1-carboxylate is O=C(ON1CCCC1)N1CCNCC1.
What is the InChIKey of pyrrolidin-1-yl piperazine-1-carboxylate?
The InChIKey is AZMYKBPCMOHCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c13-9(11-7-3-10-4-8-11)14-12-5-1-2-6-12/h10H,1-8H2.
What are the key properties of pyrrolidin-1-yl piperazine-1-carboxylate?
pyrrolidin-1-yl piperazine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl piperazine-1-carboxylate is sourced from PubChem (CID 173164040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).