ethyl 2-(piperazine-2-carbonylamino)acetate

C9H17N3O3 — CID 54250774

IUPACethyl 2-(piperazine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1CNCCN1
InChIInChI=1S/C9H17N3O3/c1-2-15-8(13)6-12-9(14)7-5-10-3-4-11-7/h7,10-11H,2-6H2,1H3,(H,12,14)
InChIKeyQWONCEZVKJOBHQ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.77
Rot. Bonds4

About ethyl 2-(piperazine-2-carbonylamino)acetate

ethyl 2-(piperazine-2-carbonylamino)acetate (PubChem CID 54250774) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 2-(piperazine-2-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(piperazine-2-carbonylamino)acetate
PubChem CID54250774
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Nameethyl 2-(piperazine-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1CNCCN1
InChIInChI=1S/C9H17N3O3/c1-2-15-8(13)6-12-9(14)7-5-10-3-4-11-7/h7,10-11H,2-6H2,1H3,(H,12,14)
InChIKeyQWONCEZVKJOBHQ-UHFFFAOYSA-N
XLogP-1.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)piperazine-2-carboxamide
CID 63103456
ethyl piperazine-2-carboxylate
CID 10633257
N-(2-methoxy-2-methylpropyl)piperazine-2-carboxamide
CID 104761988
ethyl 2-[[(4S)-1,3-thiazolidine-4-carbonyl]amino]acetate;hydrochloride
CID 119279987
N-[2-(carbamoylamino)ethyl]piperazine-2-carboxamide
CID 83121811
ethyl 2-(1,3-thiazolidine-2-carbonylamino)acetate
CID 70296848
N-[3-(dimethylamino)-2,2-dimethylpropyl]piperazine-2-carboxamide
CID 55177258
(2R)-N-(2-hydroxyethyl)piperazine-2-carboxamide
CID 129371742
N-(3-methylpentan-3-yl)piperazine-2-carboxamide
CID 106329297
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
N-(2-butoxyethyl)piperazine-2-carboxamide
CID 63103640
ethyl 2-[[2-(azetidin-3-yl)acetyl]amino]acetate
CID 64618961

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(piperazine-2-carbonylamino)acetate?
The IUPAC name of ethyl 2-(piperazine-2-carbonylamino)acetate (CID 54250774) is ethyl 2-(piperazine-2-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(piperazine-2-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(piperazine-2-carbonylamino)acetate is CCOC(=O)CNC(=O)C1CNCCN1.
What is the InChIKey of ethyl 2-(piperazine-2-carbonylamino)acetate?
The InChIKey is QWONCEZVKJOBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-2-15-8(13)6-12-9(14)7-5-10-3-4-11-7/h7,10-11H,2-6H2,1H3,(H,12,14).
What are the key properties of ethyl 2-(piperazine-2-carbonylamino)acetate?
ethyl 2-(piperazine-2-carbonylamino)acetate has a molecular weight of 215.25 g/mol, XLogP of -1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(piperazine-2-carbonylamino)acetate is sourced from PubChem (CID 54250774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).