ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate

C12H21N3O4 — CID 47412083

IUPACethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)CC)CC1
InChIInChI=1S/C12H21N3O4/c1-3-10(16)13-9-11(17)14-5-7-15(8-6-14)12(18)19-4-2/h3-9H2,1-2H3,(H,13,16)
InChIKeySXTDQMXPTOOVIK-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.19
Rot. Bonds4

About ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate (PubChem CID 47412083) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate
PubChem CID47412083
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Nameethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)CC)CC1
InChIInChI=1S/C12H21N3O4/c1-3-10(16)13-9-11(17)14-5-7-15(8-6-14)12(18)19-4-2/h3-9H2,1-2H3,(H,13,16)
InChIKeySXTDQMXPTOOVIK-UHFFFAOYSA-N
XLogP-0.19
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-(propanoylamino)acetyl]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

Tert-butyl 3-oxopiperazine-1-carboxylate
CID 3157178
Tert-butyl 2,2-dimethyl-3-oxopiperazine-1-carboxylate
CID 57657568
N,N'-bis[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]ethanediamide
CID 3547598
tert-Butyl 2-methyl-3-oxopiperazine-1-carboxylate
CID 12638300
Ethyl 4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 8890899
(S)-tert-Butyl 2-methyl-3-oxopiperazine-1-carboxylate
CID 42427514
N-(2-(2-oxo-1,3-oxazinan-3-yl)ethyl)acetamide
CID 110872096
N-(3-methoxypropyl)-2-(piperazin-1-yl)acetamide dihydrochloride
CID 137964607
Ethyl 4-(2-(tert-butylamino)-2-oxoacetamido)piperidine-1-carboxylate
CID 45497341
Ethyl 2-methyl-1-piperazinecarboxylate
CID 14722554
Propyl piperazine-1-carboxylate
CID 22393735
4-((R)-2-Amino-3-fluoro-propionyl)-piperazine-1-carboxylic acid ethyl ester
CID 66855318

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate (CID 47412083) is ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)CC)CC1.
What is the InChIKey of ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is SXTDQMXPTOOVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-10(16)13-9-11(17)14-5-7-15(8-6-14)12(18)19-4-2/h3-9H2,1-2H3,(H,13,16).
What are the key properties of ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 271.32 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(propanoylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 47412083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).