3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one

C12H20N4O — CID 62543600

IUPAC3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1ncn(CCC(=O)N2CCNCC2)c1C
InChIInChI=1S/C12H20N4O/c1-10-11(2)16(9-14-10)6-3-12(17)15-7-4-13-5-8-15/h9,13H,3-8H2,1-2H3
InChIKeyKHVSQLIRAJQMMI-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.32
Rot. Bonds3

About 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one

3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 62543600) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID62543600
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESCc1ncn(CCC(=O)N2CCNCC2)c1C
InChIInChI=1S/C12H20N4O/c1-10-11(2)16(9-14-10)6-3-12(17)15-7-4-13-5-8-15/h9,13H,3-8H2,1-2H3
InChIKeyKHVSQLIRAJQMMI-UHFFFAOYSA-N
XLogP0.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one 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

N-methyl-2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}acetamide
CID 74248778
(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
N-[2-(5-methyl-1-propyl-1H-imidazol-2-yl)ethyl]propanamide
CID 124057663
1-methyl-4-[(1,4,5-trimethyl-1H-imidazol-2-yl)methyl]piperazin-2-one formate
CID 129612273
2-methyl-1-[(3S)-3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633411
(3S)-1,3-dimethyl-4-[(1,4,5-trimethylimidazol-2-yl)methyl]piperazin-2-one
CID 164635519
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 164642020
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
2-(4,5-dimethylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115616733
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861
N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-hydroxy-4,5,6-trimethylnicotinamide
CID 121510634
N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-4-(pyrrolidin-1-ylsulfonyl)piperazine-1-carboxamide
CID 129624059

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one (CID 62543600) is 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one is Cc1ncn(CCC(=O)N2CCNCC2)c1C.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is KHVSQLIRAJQMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-11(2)16(9-14-10)6-3-12(17)15-7-4-13-5-8-15/h9,13H,3-8H2,1-2H3.
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one?
3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 236.32 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 62543600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).