(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone

C11H18N4O — CID 20703295

IUPAC(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(C)cn2)CC(C)N1
InChIInChI=1S/C11H18N4O/c1-8-4-15(5-9(2)13-8)11(16)10-6-14(3)7-12-10/h6-9,13H,4-5H2,1-3H3
InChIKeyVRPROWWAZOPLHX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.24
Rot. Bonds1

About (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone

(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone (PubChem CID 20703295) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
PubChem CID20703295
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
SMILESCC1CN(C(=O)c2cn(C)cn2)CC(C)N1
InChIInChI=1S/C11H18N4O/c1-8-4-15(5-9(2)13-8)11(16)10-6-14(3)7-12-10/h6-9,13H,4-5H2,1-3H3
InChIKeyVRPROWWAZOPLHX-UHFFFAOYSA-N
XLogP0.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 107975433
(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119564341
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 114022742
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
[4-(ethylamino)-3-methylpiperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 114022412
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124589215

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone (CID 20703295) is (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone is CC1CN(C(=O)c2cn(C)cn2)CC(C)N1.
What is the InChIKey of (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is VRPROWWAZOPLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-4-15(5-9(2)13-8)11(16)10-6-14(3)7-12-10/h6-9,13H,4-5H2,1-3H3.
What are the key properties of (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone?
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 20703295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).