[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone

C15H22N4O2 — CID 129378117

IUPAC[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCn1ccnc1N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1
InChIInChI=1S/C15H22N4O2/c1-17-5-4-16-15(17)19-8-6-18(7-9-19)14(20)12-10-11-2-3-13(12)21-11/h4-5,11-13H,2-3,6-10H2,1H3/t11-,12-,13-/m1/s1
InChIKeyFEJIJEBYWLJNHS-JHJVBQTASA-N
MW290.37 g/mol
LogP0.64
Rot. Bonds2

About [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone

[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 129378117) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone
PubChem CID129378117
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone
SMILESCn1ccnc1N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1
InChIInChI=1S/C15H22N4O2/c1-17-5-4-16-15(17)19-8-6-18(7-9-19)14(20)12-10-11-2-3-13(12)21-11/h4-5,11-13H,2-3,6-10H2,1H3/t11-,12-,13-/m1/s1
InChIKeyFEJIJEBYWLJNHS-JHJVBQTASA-N
XLogP0.64
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone (CID 129378117) is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone is Cn1ccnc1N1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone?
The InChIKey is FEJIJEBYWLJNHS-JHJVBQTASA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17-5-4-16-15(17)19-8-6-18(7-9-19)14(20)12-10-11-2-3-13(12)21-11/h4-5,11-13H,2-3,6-10H2,1H3/t11-,12-,13-/m1/s1.
What are the key properties of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone?
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 290.37 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 129378117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).