(1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C12H20N4O — CID 126752794

IUPAC(1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C12H20N4O/c1-10(2)15-4-6-16(7-5-15)12(17)11-8-14(3)9-13-11/h8-10H,4-7H2,1-3H3
InChIKeyPYVVAOJNHJXLTG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.59
Rot. Bonds2

About (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 126752794) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID126752794
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C12H20N4O/c1-10(2)15-4-6-16(7-5-15)12(17)11-8-14(3)9-13-11/h8-10H,4-7H2,1-3H3
InChIKeyPYVVAOJNHJXLTG-UHFFFAOYSA-N
XLogP0.59
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone 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

Etamiphyllin
CID 28329
7-(2-(Dimethylamino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
CID 10612
1,3,7-Tripropylxanthine
CID 11492842
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N,N-diethylacetamide
CID 652907
1,3-Dipropyl-7-methylxanthine
CID 161713
1-methyl-1H-imidazole-5-carboxamide
CID 2736884
Diimidazo[1,5-a:1',5'-d]pyrazine-5,10-dione
CID 1051510
1-Ethyl-7-methyl-3-propyl-3,7-dihydro-purine-2,6-dione
CID 10037104
7-Ethyl-1-methyl-3-propyl-3,7-dihydro-purine-2,6-dione
CID 10243194
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3,7-dipropyl-
CID 10377425
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-3-methylimidazole-4-carboxamide
CID 89705223
1H-Purine-2,6-dione, 7-ethenyl-3,7-dihydro-1,3-dimethyl-
CID 146713

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 126752794) is (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cn(C)cn2)CC1.
What is the InChIKey of (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is PYVVAOJNHJXLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10(2)15-4-6-16(7-5-15)12(17)11-8-14(3)9-13-11/h8-10H,4-7H2,1-3H3.
What are the key properties of (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 236.32 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126752794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).