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

C15H22F2N4O2 — CID 129396926

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone
SMILESO=C([C@@H]1CCCOC1)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/t12-/m1/s1
InChIKeyMZZMEFJZLLVZJG-GFCCVEGCSA-N
MW328.36 g/mol
LogP1.35
Rot. Bonds4

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

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone (PubChem CID 129396926) 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]-[(3R)-oxan-3-yl]methanone.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone
PubChem CID129396926
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone
SMILESO=C([C@@H]1CCCOC1)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/t12-/m1/s1
InChIKeyMZZMEFJZLLVZJG-GFCCVEGCSA-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

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

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Related Compounds

1-[3-(2-ethyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53623121
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53618996
N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-(tetrahydro-2H-pyran-4-yl)-3-piperidinecarboxamide
CID 72923453
[4-(1-Methylimidazol-2-yl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 71990992
1-[3-(2-Propan-2-ylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 56779786
Ethyl 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylate
CID 60718616
Methyl 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylate
CID 78920381
methyl (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylate
CID 79038531
ethyl (3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylate
CID 81339474
ethyl (3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-3-carboxylate
CID 81339564
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 95344007
1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 95344008

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone (CID 129396926) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone is O=C([C@@H]1CCCOC1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone?
The InChIKey is MZZMEFJZLLVZJG-GFCCVEGCSA-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/t12-/m1/s1.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-oxan-3-yl]methanone?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-[(3R)-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]-[(3R)-oxan-3-yl]methanone is sourced from PubChem (CID 129396926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).