ethyl carbamate;piperazine

C7H17N3O2 — CID 158985722

IUPACethyl carbamate;piperazine
SMILESC1CNCCN1.CCOC(N)=O
InChIInChI=1S/C4H10N2.C3H7NO2/c1-2-6-4-3-5-1;1-2-6-3(4)5/h5-6H,1-4H2;2H2,1H3,(H2,4,5)
InChIKeyJPNXOTLXUFKKJU-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.72
Rot. Bonds1

About ethyl carbamate;piperazine

ethyl carbamate;piperazine (PubChem CID 158985722) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl carbamate;piperazine.

Molecular Properties

Compound Nameethyl carbamate;piperazine
PubChem CID158985722
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Nameethyl carbamate;piperazine
SMILESC1CNCCN1.CCOC(N)=O
InChIInChI=1S/C4H10N2.C3H7NO2/c1-2-6-4-3-5-1;1-2-6-3(4)5/h5-6H,1-4H2;2H2,1H3,(H2,4,5)
InChIKeyJPNXOTLXUFKKJU-UHFFFAOYSA-N
XLogP-0.72
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;piperazine?
The IUPAC name of ethyl carbamate;piperazine (CID 158985722) is ethyl carbamate;piperazine.
What is the SMILES notation for ethyl carbamate;piperazine?
The canonical SMILES for ethyl carbamate;piperazine is C1CNCCN1.CCOC(N)=O.
What is the InChIKey of ethyl carbamate;piperazine?
The InChIKey is JPNXOTLXUFKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.C3H7NO2/c1-2-6-4-3-5-1;1-2-6-3(4)5/h5-6H,1-4H2;2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate;piperazine?
ethyl carbamate;piperazine has a molecular weight of 175.23 g/mol, XLogP of -0.72, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;piperazine is sourced from PubChem (CID 158985722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).