[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone

C15H22F2N4O2 — CID 127276166

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C15H22F2N4O2/c16-15(17)21-4-3-18-13(21)10-19-5-7-20(8-6-19)14(22)12-2-1-9-23-11-12/h3-4,12,15H,1-2,5-11H2
InChIKeyMZZMEFJZLLVZJG-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.35
Rot. Bonds4

About [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone (PubChem CID 127276166) has the molecular formula C15H22F2N4O2 and a molecular weight of 328.36 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone
PubChem CID127276166
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone
SMILESO=C(C1CCCOC1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C15H22F2N4O2/c16-15(17)21-4-3-18-13(21)10-19-5-7-20(8-6-19)14(22)12-2-1-9-23-11-12/h3-4,12,15H,1-2,5-11H2
InChIKeyMZZMEFJZLLVZJG-UHFFFAOYSA-N
XLogP1.35
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone (CID 127276166) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone is O=C(C1CCCOC1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone?
The InChIKey is MZZMEFJZLLVZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2/c16-15(17)21-4-3-18-13(21)10-19-5-7-20(8-6-19)14(22)12-2-1-9-23-11-12/h3-4,12,15H,1-2,5-11H2.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone has a molecular weight of 328.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 127276166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).