[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone

C13H20N4O2 — CID 122160437

IUPAC[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCn1ccnc1N1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C13H20N4O2/c1-15-4-3-14-13(15)17-7-5-16(6-8-17)12(18)11-2-9-19-10-11/h3-4,11H,2,5-10H2,1H3
InChIKeyPENUFOSBVOMHHK-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.11
Rot. Bonds2

About [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone

[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 122160437) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone
PubChem CID122160437
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone
SMILESCn1ccnc1N1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C13H20N4O2/c1-15-4-3-14-13(15)17-7-5-16(6-8-17)12(18)11-2-9-19-10-11/h3-4,11H,2,5-10H2,1H3
InChIKeyPENUFOSBVOMHHK-UHFFFAOYSA-N
XLogP0.11
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.11
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]-(oxolan-3-yl)methanone?
The IUPAC name of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone (CID 122160437) is [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone is Cn1ccnc1N1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is PENUFOSBVOMHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-15-4-3-14-13(15)17-7-5-16(6-8-17)12(18)11-2-9-19-10-11/h3-4,11H,2,5-10H2,1H3.
What are the key properties of [4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone?
[4-(1-methylimidazol-2-yl)piperazin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 0.11, 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]-(oxolan-3-yl)methanone is sourced from PubChem (CID 122160437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).