5-ethyl-1,3,4-trimethylpiperazin-2-one

C9H18N2O — CID 20750671

IUPAC5-ethyl-1,3,4-trimethylpiperazin-2-one
SMILESCCC1CN(C)C(=O)C(C)N1C
InChIInChI=1S/C9H18N2O/c1-5-8-6-10(3)9(12)7(2)11(8)4/h7-8H,5-6H2,1-4H3
InChIKeySBHFUNAGDUPXLH-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.56
Rot. Bonds1

About 5-ethyl-1,3,4-trimethylpiperazin-2-one

5-ethyl-1,3,4-trimethylpiperazin-2-one (PubChem CID 20750671) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-ethyl-1,3,4-trimethylpiperazin-2-one.

Molecular Properties

Compound Name5-ethyl-1,3,4-trimethylpiperazin-2-one
PubChem CID20750671
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-ethyl-1,3,4-trimethylpiperazin-2-one
SMILESCCC1CN(C)C(=O)C(C)N1C
InChIInChI=1S/C9H18N2O/c1-5-8-6-10(3)9(12)7(2)11(8)4/h7-8H,5-6H2,1-4H3
InChIKeySBHFUNAGDUPXLH-UHFFFAOYSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,4-trimethylpiperazin-2-one?
The IUPAC name of 5-ethyl-1,3,4-trimethylpiperazin-2-one (CID 20750671) is 5-ethyl-1,3,4-trimethylpiperazin-2-one.
What is the SMILES notation for 5-ethyl-1,3,4-trimethylpiperazin-2-one?
The canonical SMILES for 5-ethyl-1,3,4-trimethylpiperazin-2-one is CCC1CN(C)C(=O)C(C)N1C.
What is the InChIKey of 5-ethyl-1,3,4-trimethylpiperazin-2-one?
The InChIKey is SBHFUNAGDUPXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-8-6-10(3)9(12)7(2)11(8)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-ethyl-1,3,4-trimethylpiperazin-2-one?
5-ethyl-1,3,4-trimethylpiperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,4-trimethylpiperazin-2-one is sourced from PubChem (CID 20750671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).