pyrrolidin-1-yl 2-piperazin-1-ylacetate

C10H19N3O2 — CID 69133633

IUPACpyrrolidin-1-yl 2-piperazin-1-ylacetate
SMILESO=C(CN1CCNCC1)ON1CCCC1
InChIInChI=1S/C10H19N3O2/c14-10(15-13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2
InChIKeyKBWCUHDWTWINNF-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.55
Rot. Bonds3

About pyrrolidin-1-yl 2-piperazin-1-ylacetate

pyrrolidin-1-yl 2-piperazin-1-ylacetate (PubChem CID 69133633) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is pyrrolidin-1-yl 2-piperazin-1-ylacetate.

Molecular Properties

Compound Namepyrrolidin-1-yl 2-piperazin-1-ylacetate
PubChem CID69133633
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Namepyrrolidin-1-yl 2-piperazin-1-ylacetate
SMILESO=C(CN1CCNCC1)ON1CCCC1
InChIInChI=1S/C10H19N3O2/c14-10(15-13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2
InChIKeyKBWCUHDWTWINNF-UHFFFAOYSA-N
XLogP-0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze pyrrolidin-1-yl 2-piperazin-1-ylacetate 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

dipiperazin-1-yl butanedioate
CID 69276754
2-[4-(carboxymethyl)-7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 88871185
ethyl 2-[4,8-bis(2-ethoxy-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 59227643
piperazin-1-yl propanoate
CID 12863406
pyrrolidin-1-yl piperazine-1-carboxylate
CID 173164040
tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetate;1,5-diazacyclododecane;1,4,8,12-tetrazacyclopentadecane;1,4,8,11-tetrazacyclotetradecane;1,4,7,10-tetrazacyclotridecane
CID 167628059
butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 23113355
ethyl 2-[4-(2-ethoxy-2-oxoethyl)-8-ethyl-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
CID 90455410
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
2-methoxyethyl 2-(1,4-diazepan-1-yl)acetate
CID 62823958
tert-butyl 2-[4-(2-oxopropyl)-1,4,7-triazonan-1-yl]acetate
CID 118026423
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl 2-piperazin-1-ylacetate?
The IUPAC name of pyrrolidin-1-yl 2-piperazin-1-ylacetate (CID 69133633) is pyrrolidin-1-yl 2-piperazin-1-ylacetate.
What is the SMILES notation for pyrrolidin-1-yl 2-piperazin-1-ylacetate?
The canonical SMILES for pyrrolidin-1-yl 2-piperazin-1-ylacetate is O=C(CN1CCNCC1)ON1CCCC1.
What is the InChIKey of pyrrolidin-1-yl 2-piperazin-1-ylacetate?
The InChIKey is KBWCUHDWTWINNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c14-10(15-13-5-1-2-6-13)9-12-7-3-11-4-8-12/h11H,1-9H2.
What are the key properties of pyrrolidin-1-yl 2-piperazin-1-ylacetate?
pyrrolidin-1-yl 2-piperazin-1-ylacetate has a molecular weight of 213.28 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl 2-piperazin-1-ylacetate is sourced from PubChem (CID 69133633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).