3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one

C14H26N4O2 — CID 69367418

IUPAC3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one
SMILESCCC1(C(C)C(=O)N2CCN(C)CC2)NCCNC1=O
InChIInChI=1S/C14H26N4O2/c1-4-14(13(20)15-5-6-16-14)11(2)12(19)18-9-7-17(3)8-10-18/h11,16H,4-10H2,1-3H3,(H,15,20)
InChIKeySMGNREFRDCAJRL-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.74
Rot. Bonds3

About 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one

3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one (PubChem CID 69367418) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one
PubChem CID69367418
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one
SMILESCCC1(C(C)C(=O)N2CCN(C)CC2)NCCNC1=O
InChIInChI=1S/C14H26N4O2/c1-4-14(13(20)15-5-6-16-14)11(2)12(19)18-9-7-17(3)8-10-18/h11,16H,4-10H2,1-3H3,(H,15,20)
InChIKeySMGNREFRDCAJRL-UHFFFAOYSA-N
XLogP-0.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one?
The IUPAC name of 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one (CID 69367418) is 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one?
The canonical SMILES for 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one is CCC1(C(C)C(=O)N2CCN(C)CC2)NCCNC1=O.
What is the InChIKey of 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one?
The InChIKey is SMGNREFRDCAJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-14(13(20)15-5-6-16-14)11(2)12(19)18-9-7-17(3)8-10-18/h11,16H,4-10H2,1-3H3,(H,15,20).
What are the key properties of 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one?
3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one has a molecular weight of 282.39 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-[1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]piperazin-2-one is sourced from PubChem (CID 69367418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).