ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate

C15H25N3O4 — CID 24730489

IUPACethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(C)=O)C(C(=O)N2CCCC2)C1
InChIInChI=1S/C15H25N3O4/c1-3-22-14(20)11-16-8-9-18(12(2)19)13(10-16)15(21)17-6-4-5-7-17/h13H,3-11H2,1-2H3
InChIKeyGDJGVWLBNDEMNT-UHFFFAOYSA-N
MW311.38 g/mol
LogP-0.30
Rot. Bonds4

About ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate

ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate (PubChem CID 24730489) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate
PubChem CID24730489
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Nameethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(C(C)=O)C(C(=O)N2CCCC2)C1
InChIInChI=1S/C15H25N3O4/c1-3-22-14(20)11-16-8-9-18(12(2)19)13(10-16)15(21)17-6-4-5-7-17/h13H,3-11H2,1-2H3
InChIKeyGDJGVWLBNDEMNT-UHFFFAOYSA-N
XLogP-0.30
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate (CID 24730489) is ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(C(C)=O)C(C(=O)N2CCCC2)C1.
What is the InChIKey of ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate?
The InChIKey is GDJGVWLBNDEMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-3-22-14(20)11-16-8-9-18(12(2)19)13(10-16)15(21)17-6-4-5-7-17/h13H,3-11H2,1-2H3.
What are the key properties of ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate?
ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate has a molecular weight of 311.38 g/mol, XLogP of -0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-acetyl-3-(pyrrolidine-1-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 24730489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).