oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone

C16H16F4N2O3 — CID 4843810

IUPACoxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)c(F)c(F)c1F)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H16F4N2O3/c17-10-8-9(12(18)14(20)13(10)19)15(23)21-3-5-22(6-4-21)16(24)11-2-1-7-25-11/h8,11H,1-7H2
InChIKeyVNZAKBYVGJBTOG-UHFFFAOYSA-N
MW360.31 g/mol
LogP1.71
Rot. Bonds2

About oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 4843810) has the molecular formula C16H16F4N2O3 and a molecular weight of 360.31 g/mol. Its IUPAC name is oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone
PubChem CID4843810
Molecular FormulaC16H16F4N2O3
Molecular Weight360.31 g/mol
Exact Mass360.11
IUPAC Nameoxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)c(F)c(F)c1F)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C16H16F4N2O3/c17-10-8-9(12(18)14(20)13(10)19)15(23)21-3-5-22(6-4-21)16(24)11-2-1-7-25-11/h8,11H,1-7H2
InChIKeyVNZAKBYVGJBTOG-UHFFFAOYSA-N
XLogP1.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[4-(Oxolane-2-carbonyl)piperazine-1-carbonyl]benzonitrile
CID 16276671
LDHA/PDKs-IN-1
CID 162648711
[4-(4-Methylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 16276669
[4-(2-Chlorobenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4800484
4-[(4-Methylphenyl)methyl]piperazinyl oxolan-2-yl ketone
CID 2971292
Oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[(2R)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 7873337
3-[2-[4-(2-Fluorobenzoyl)piperazin-1-yl]ethoxy]-2-methylpyran-4-one
CID 162664631
4-[(2-Fluorophenyl)methyl]piperazinyl oxolan-2-yl ketone
CID 6469370
[(2S)-oxolan-2-yl]-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 7873335
2-(2-Fluorophenyl)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 42910678
(4aR,7aS)-6-(4-fluorobenzoyl)-4-(2-methoxyethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775321

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone (CID 4843810) is oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone is O=C(c1cc(F)c(F)c(F)c1F)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is VNZAKBYVGJBTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F4N2O3/c17-10-8-9(12(18)14(20)13(10)19)15(23)21-3-5-22(6-4-21)16(24)11-2-1-7-25-11/h8,11H,1-7H2.
What are the key properties of oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 360.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(2,3,4,5-tetrafluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4843810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).