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

C14H26N4O2 — CID 68687515

IUPAC3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCCC1(C)NCCN(CC(=O)N2CCN(C)CC2)C1=O
InChIInChI=1S/C14H26N4O2/c1-4-14(2)13(20)18(6-5-15-14)11-12(19)17-9-7-16(3)8-10-17/h15H,4-11H2,1-3H3
InChIKeyFPNDSQRRBHAVLI-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.64
Rot. Bonds3

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

3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 68687515) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
PubChem CID68687515
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCCC1(C)NCCN(CC(=O)N2CCN(C)CC2)C1=O
InChIInChI=1S/C14H26N4O2/c1-4-14(2)13(20)18(6-5-15-14)11-12(19)17-9-7-16(3)8-10-17/h15H,4-11H2,1-3H3
InChIKeyFPNDSQRRBHAVLI-UHFFFAOYSA-N
XLogP-0.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one (CID 68687515) is 3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one is CCC1(C)NCCN(CC(=O)N2CCN(C)CC2)C1=O.
What is the InChIKey of 3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is FPNDSQRRBHAVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-4-14(2)13(20)18(6-5-15-14)11-12(19)17-9-7-16(3)8-10-17/h15H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one?
3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 282.39 g/mol, XLogP of -0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 68687515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).