4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one

C10H15N3O2 — CID 82507792

IUPAC4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one
SMILESNCc1coc(CN2CCNC(=O)C2)c1
InChIInChI=1S/C10H15N3O2/c11-4-8-3-9(15-7-8)5-13-2-1-12-10(14)6-13/h3,7H,1-2,4-6,11H2,(H,12,14)
InChIKeySOQBKLMHDFVRBK-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.33
Rot. Bonds3

About 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one

4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one (PubChem CID 82507792) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one
PubChem CID82507792
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one
SMILESNCc1coc(CN2CCNC(=O)C2)c1
InChIInChI=1S/C10H15N3O2/c11-4-8-3-9(15-7-8)5-13-2-1-12-10(14)6-13/h3,7H,1-2,4-6,11H2,(H,12,14)
InChIKeySOQBKLMHDFVRBK-UHFFFAOYSA-N
XLogP-0.33
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one (CID 82507792) is 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one is NCc1coc(CN2CCNC(=O)C2)c1.
What is the InChIKey of 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one?
The InChIKey is SOQBKLMHDFVRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c11-4-8-3-9(15-7-8)5-13-2-1-12-10(14)6-13/h3,7H,1-2,4-6,11H2,(H,12,14).
What are the key properties of 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one?
4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one has a molecular weight of 209.25 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)furan-2-yl]methyl]piperazin-2-one is sourced from PubChem (CID 82507792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).