2-(dimethylamino)-1-piperazin-1-ylethanone

C8H17N3O — CID 16770302

IUPAC2-(dimethylamino)-1-piperazin-1-ylethanone
SMILESCN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C8H17N3O/c1-10(2)7-8(12)11-5-3-9-4-6-11/h9H,3-7H2,1-2H3
InChIKeyJJQYLNCTJNLITN-UHFFFAOYSA-N
MW171.24 g/mol
LogP-1.02
Rot. Bonds2

About 2-(dimethylamino)-1-piperazin-1-ylethanone

2-(dimethylamino)-1-piperazin-1-ylethanone (PubChem CID 16770302) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(dimethylamino)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-piperazin-1-ylethanone
PubChem CID16770302
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(dimethylamino)-1-piperazin-1-ylethanone
SMILESCN(C)CC(=O)N1CCNCC1
InChIInChI=1S/C8H17N3O/c1-10(2)7-8(12)11-5-3-9-4-6-11/h9H,3-7H2,1-2H3
InChIKeyJJQYLNCTJNLITN-UHFFFAOYSA-N
XLogP-1.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603133
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
1-(1,4-diazepan-1-yl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 55226180
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
(E)-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)but-2-enamide
CID 61017890
2-amino-N,2-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 82511586
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
[2-(1,4-diazepan-1-yl)-2-oxoethyl]-ethylcarbamic acid
CID 155126001
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(dimethylamino)-1-piperazin-1-ylethanone (CID 16770302) is 2-(dimethylamino)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(dimethylamino)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(dimethylamino)-1-piperazin-1-ylethanone is CN(C)CC(=O)N1CCNCC1.
What is the InChIKey of 2-(dimethylamino)-1-piperazin-1-ylethanone?
The InChIKey is JJQYLNCTJNLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-10(2)7-8(12)11-5-3-9-4-6-11/h9H,3-7H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-piperazin-1-ylethanone?
2-(dimethylamino)-1-piperazin-1-ylethanone has a molecular weight of 171.24 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-piperazin-1-ylethanone is sourced from PubChem (CID 16770302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).