ethyl N-piperazin-1-ylcarbamate

C7H15N3O2 — CID 13200156

IUPACethyl N-piperazin-1-ylcarbamate
SMILESCCOC(=O)NN1CCNCC1
InChIInChI=1S/C7H15N3O2/c1-2-12-7(11)9-10-5-3-8-4-6-10/h8H,2-6H2,1H3,(H,9,11)
InChIKeySVYMEIPFHAZRSX-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.45
Rot. Bonds2

About ethyl N-piperazin-1-ylcarbamate

ethyl N-piperazin-1-ylcarbamate (PubChem CID 13200156) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is ethyl N-piperazin-1-ylcarbamate.

Molecular Properties

Compound Nameethyl N-piperazin-1-ylcarbamate
PubChem CID13200156
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Nameethyl N-piperazin-1-ylcarbamate
SMILESCCOC(=O)NN1CCNCC1
InChIInChI=1S/C7H15N3O2/c1-2-12-7(11)9-10-5-3-8-4-6-10/h8H,2-6H2,1H3,(H,9,11)
InChIKeySVYMEIPFHAZRSX-UHFFFAOYSA-N
XLogP-0.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-piperazin-1-ylcarbamate?
The IUPAC name of ethyl N-piperazin-1-ylcarbamate (CID 13200156) is ethyl N-piperazin-1-ylcarbamate.
What is the SMILES notation for ethyl N-piperazin-1-ylcarbamate?
The canonical SMILES for ethyl N-piperazin-1-ylcarbamate is CCOC(=O)NN1CCNCC1.
What is the InChIKey of ethyl N-piperazin-1-ylcarbamate?
The InChIKey is SVYMEIPFHAZRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-2-12-7(11)9-10-5-3-8-4-6-10/h8H,2-6H2,1H3,(H,9,11).
What are the key properties of ethyl N-piperazin-1-ylcarbamate?
ethyl N-piperazin-1-ylcarbamate has a molecular weight of 173.22 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-piperazin-1-ylcarbamate is sourced from PubChem (CID 13200156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).