4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one

C9H19N3O — CID 15173879

IUPAC4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one
SMILESCN(C)CCN1CCN(C)C(=O)C1
InChIInChI=1S/C9H19N3O/c1-10(2)4-6-12-7-5-11(3)9(13)8-12/h4-8H2,1-3H3
InChIKeyVBBIBKKOZGGNSB-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.68
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one

4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one (PubChem CID 15173879) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one
PubChem CID15173879
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one
SMILESCN(C)CCN1CCN(C)C(=O)C1
InChIInChI=1S/C9H19N3O/c1-10(2)4-6-12-7-5-11(3)9(13)8-12/h4-8H2,1-3H3
InChIKeyVBBIBKKOZGGNSB-UHFFFAOYSA-N
XLogP-0.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one (CID 15173879) is 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one is CN(C)CCN1CCN(C)C(=O)C1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one?
The InChIKey is VBBIBKKOZGGNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-10(2)4-6-12-7-5-11(3)9(13)8-12/h4-8H2,1-3H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one?
4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one has a molecular weight of 185.27 g/mol, XLogP of -0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 15173879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).