2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone

C12H25N3O — CID 61325591

IUPAC2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC(C)(C)C
InChIInChI=1S/C12H25N3O/c1-12(2,3)10-14(4)9-11(16)15-7-5-13-6-8-15/h13H,5-10H2,1-4H3
InChIKeyOHIVWFAMFJJWAG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.40
Rot. Bonds3

About 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone

2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone (PubChem CID 61325591) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
PubChem CID61325591
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC(C)(C)C
InChIInChI=1S/C12H25N3O/c1-12(2,3)10-14(4)9-11(16)15-7-5-13-6-8-15/h13H,5-10H2,1-4H3
InChIKeyOHIVWFAMFJJWAG-UHFFFAOYSA-N
XLogP0.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904322
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
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
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
2-(dimethylamino)-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 172785490
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-methylamino]-1-piperazin-1-ylethanone
CID 119915244
1-(4-acetylpiperazin-1-yl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]ethanone
CID 79004856

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone (CID 61325591) is 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)CC(C)(C)C.
What is the InChIKey of 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is OHIVWFAMFJJWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-12(2,3)10-14(4)9-11(16)15-7-5-13-6-8-15/h13H,5-10H2,1-4H3.
What are the key properties of 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone?
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 227.35 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61325591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).