2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone

C12H21N5O — CID 62137503

IUPAC2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCCn1ccnc1N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C12H21N5O/c1-3-16-9-6-14-12(16)15(2)10-11(18)17-7-4-13-5-8-17/h6,9,13H,3-5,7-8,10H2,1-2H3
InChIKeyAZBXIUQFPBRMTH-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.23
Rot. Bonds4

About 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone

2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone (PubChem CID 62137503) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
PubChem CID62137503
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone
SMILESCCn1ccnc1N(C)CC(=O)N1CCNCC1
InChIInChI=1S/C12H21N5O/c1-3-16-9-6-14-12(16)15(2)10-11(18)17-7-4-13-5-8-17/h6,9,13H,3-5,7-8,10H2,1-2H3
InChIKeyAZBXIUQFPBRMTH-UHFFFAOYSA-N
XLogP-0.23
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[(2-oxo-2-piperazin-1-ylethyl)amino]pyrazin-2-one
CID 62929883
3-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1H-pyrazin-2-one
CID 114570905
2-[methyl(2-pyrazol-1-ylethyl)amino]-1-piperazin-1-ylethanone
CID 54960870
2-[(4-methoxypyrimidin-2-yl)-methylamino]-1-piperazin-1-ylethanone
CID 54904291
2-(4-hydroxy-N-methylanilino)-1-piperazin-1-ylethanone
CID 39256203
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982623
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-piperazin-1-ylethanone;dihydrochloride
CID 119915287
2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]-1-piperazin-1-ylethanone
CID 61241523
3-imidazol-1-yl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)propanamide
CID 43603160
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 63013604
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63266168

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone (CID 62137503) is 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone is CCn1ccnc1N(C)CC(=O)N1CCNCC1.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is AZBXIUQFPBRMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-16-9-6-14-12(16)15(2)10-11(18)17-7-4-13-5-8-17/h6,9,13H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone?
2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 251.33 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 62137503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).