cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C12H18N4O — CID 25284768

IUPACcyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H18N4O/c1-14-5-4-13-12(14)16-8-6-15(7-9-16)11(17)10-2-3-10/h4-5,10H,2-3,6-9H2,1H3
InChIKeyWFWROUANKAOBFG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.48
Rot. Bonds2

About cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 25284768) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID25284768
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Namecyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCn1ccnc1N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C12H18N4O/c1-14-5-4-13-12(14)16-8-6-15(7-9-16)11(17)10-2-3-10/h4-5,10H,2-3,6-9H2,1H3
InChIKeyWFWROUANKAOBFG-UHFFFAOYSA-N
XLogP0.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 25284768) is cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is Cn1ccnc1N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is WFWROUANKAOBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-14-5-4-13-12(14)16-8-6-15(7-9-16)11(17)10-2-3-10/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 234.30 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 25284768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).