4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one

C11H17N3O2 — CID 64682378

IUPAC4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(CN)c2ccco2)CC1=O
InChIInChI=1S/C11H17N3O2/c1-13-4-5-14(8-11(13)15)9(7-12)10-3-2-6-16-10/h2-3,6,9H,4-5,7-8,12H2,1H3
InChIKeyIOEKEXFJGYFRLH-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.05
Rot. Bonds3

About 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one

4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one (PubChem CID 64682378) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one
PubChem CID64682378
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one
SMILESCN1CCN(C(CN)c2ccco2)CC1=O
InChIInChI=1S/C11H17N3O2/c1-13-4-5-14(8-11(13)15)9(7-12)10-3-2-6-16-10/h2-3,6,9H,4-5,7-8,12H2,1H3
InChIKeyIOEKEXFJGYFRLH-UHFFFAOYSA-N
XLogP0.05
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one (CID 64682378) is 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one is CN1CCN(C(CN)c2ccco2)CC1=O.
What is the InChIKey of 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one?
The InChIKey is IOEKEXFJGYFRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-4-5-14(8-11(13)15)9(7-12)10-3-2-6-16-10/h2-3,6,9H,4-5,7-8,12H2,1H3.
What are the key properties of 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one?
4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(furan-2-yl)ethyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64682378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).