ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate

C13H23N3O3 — CID 24733365

IUPACethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCNC(C(=O)N2CCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-2-19-12(17)10-15-8-5-14-11(9-15)13(18)16-6-3-4-7-16/h11,14H,2-10H2,1H3
InChIKeyPLWFUDQHGQCVSW-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.55
Rot. Bonds4

About ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate

ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate (PubChem CID 24733365) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate
PubChem CID24733365
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Nameethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCNC(C(=O)N2CCCC2)C1
InChIInChI=1S/C13H23N3O3/c1-2-19-12(17)10-15-8-5-14-11(9-15)13(18)16-6-3-4-7-16/h11,14H,2-10H2,1H3
InChIKeyPLWFUDQHGQCVSW-UHFFFAOYSA-N
XLogP-0.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate (CID 24733365) is ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCNC(C(=O)N2CCCC2)C1.
What is the InChIKey of ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate?
The InChIKey is PLWFUDQHGQCVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-19-12(17)10-15-8-5-14-11(9-15)13(18)16-6-3-4-7-16/h11,14H,2-10H2,1H3.
What are the key properties of ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate?
ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate has a molecular weight of 269.34 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 24733365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).