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

C10H19N3O3 — CID 54773405

IUPACethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC)CC1
InChIInChI=1S/C10H19N3O3/c1-3-16-10(15)13-6-4-12(5-7-13)9(14)8-11-2/h11H,3-8H2,1-2H3
InChIKeyHXUGNWNPUFGLOO-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.49
Rot. Bonds3

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

ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate (PubChem CID 54773405) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
PubChem CID54773405
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Nameethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC)CC1
InChIInChI=1S/C10H19N3O3/c1-3-16-10(15)13-6-4-12(5-7-13)9(14)8-11-2/h11H,3-8H2,1-2H3
InChIKeyHXUGNWNPUFGLOO-UHFFFAOYSA-N
XLogP-0.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
ethyl 4-[2-(ethylsulfonylamino)acetyl]piperazine-1-carboxylate
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ethyl 4-[2-(2,2,2-trifluoroethylamino)acetyl]piperazine-1-carboxylate
CID 78914960
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 4-[2-(methylamino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108526200
ethyl 4-(3-methoxy-3-oxopropanoyl)piperazine-1-carboxylate
CID 94692085
ethyl 4-[3-oxo-3-(propan-2-ylamino)propanoyl]piperazine-1-carboxylate
CID 108940832
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
ethyl 4-[2-(2-methylpropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110625492
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 60947029
ethyl 4-[2-(methylamino)propanoyl]piperazine-1-carboxylate
CID 60718933

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate (CID 54773405) is ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC)CC1.
What is the InChIKey of ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate?
The InChIKey is HXUGNWNPUFGLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-3-16-10(15)13-6-4-12(5-7-13)9(14)8-11-2/h11H,3-8H2,1-2H3.
What are the key properties of ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(methylamino)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 54773405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).