3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one

C8H17N3O — CID 115102147

IUPAC3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one
SMILESCNCCN1CCNC(C)C1=O
InChIInChI=1S/C8H17N3O/c1-7-8(12)11(5-3-9-2)6-4-10-7/h7,9-10H,3-6H2,1-2H3
InChIKeyZIMYLMOTRZMGMH-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.97
Rot. Bonds3

About 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one

3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one (PubChem CID 115102147) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one
PubChem CID115102147
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one
SMILESCNCCN1CCNC(C)C1=O
InChIInChI=1S/C8H17N3O/c1-7-8(12)11(5-3-9-2)6-4-10-7/h7,9-10H,3-6H2,1-2H3
InChIKeyZIMYLMOTRZMGMH-UHFFFAOYSA-N
XLogP-0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one?
The IUPAC name of 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one (CID 115102147) is 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one?
The canonical SMILES for 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one is CNCCN1CCNC(C)C1=O.
What is the InChIKey of 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one?
The InChIKey is ZIMYLMOTRZMGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7-8(12)11(5-3-9-2)6-4-10-7/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one?
3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one has a molecular weight of 171.24 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one is sourced from PubChem (CID 115102147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).