1-[2-(dimethylamino)ethyl]piperazin-2-one

C8H17N3O — CID 58002045

IUPAC1-[2-(dimethylamino)ethyl]piperazin-2-one
SMILESCN(C)CCN1CCNCC1=O
InChIInChI=1S/C8H17N3O/c1-10(2)5-6-11-4-3-9-7-8(11)12/h9H,3-7H2,1-2H3
InChIKeyYBSDBDDIAPKFNU-UHFFFAOYSA-N
MW171.24 g/mol
LogP-1.02
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]piperazin-2-one

1-[2-(dimethylamino)ethyl]piperazin-2-one (PubChem CID 58002045) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]piperazin-2-one
PubChem CID58002045
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name1-[2-(dimethylamino)ethyl]piperazin-2-one
SMILESCN(C)CCN1CCNCC1=O
InChIInChI=1S/C8H17N3O/c1-10(2)5-6-11-4-3-9-7-8(11)12/h9H,3-7H2,1-2H3
InChIKeyYBSDBDDIAPKFNU-UHFFFAOYSA-N
XLogP-1.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Piperazinedione
CID 7817
1-((Pyrrolidine-1-carbonyl)methyl)piperazine
CID 100614
1-Ethyl-2,3-piperazinedione
CID 108812
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
Piperazin-2-one
CID 231360
1-Acetylpiperazine
CID 83795
4-Methylpiperazine-2,6-dione
CID 124723
N-isopropyl-1-piperazineacetamide
CID 100826
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
2,3-Piperazinedione, 1-methyl-
CID 3042433
Ammonium, (2-acetamidoethyl)triethyl-, iodide
CID 40661
Acetamide, N-(2-diethylaminoethyl)-
CID 44428

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]piperazin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]piperazin-2-one (CID 58002045) is 1-[2-(dimethylamino)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]piperazin-2-one is CN(C)CCN1CCNCC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]piperazin-2-one?
The InChIKey is YBSDBDDIAPKFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10(2)5-6-11-4-3-9-7-8(11)12/h9H,3-7H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]piperazin-2-one?
1-[2-(dimethylamino)ethyl]piperazin-2-one has a molecular weight of 171.24 g/mol, XLogP of -1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]piperazin-2-one is sourced from PubChem (CID 58002045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).