1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone

C19H16F4N2O2 — CID 4784108

IUPAC1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H16F4N2O2/c1-11(26)24-7-9-25(10-8-24)18-13(14(20)15(21)16(22)17(18)23)19(27)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyODVDIOYDQNUDNJ-UHFFFAOYSA-N
MW380.34 g/mol
LogP3.14
Rot. Bonds3

About 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone

1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone (PubChem CID 4784108) has the molecular formula C19H16F4N2O2 and a molecular weight of 380.34 g/mol. Its IUPAC name is 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone
PubChem CID4784108
Molecular FormulaC19H16F4N2O2
Molecular Weight380.34 g/mol
Exact Mass380.11
IUPAC Name1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H16F4N2O2/c1-11(26)24-7-9-25(10-8-24)18-13(14(20)15(21)16(22)17(18)23)19(27)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyODVDIOYDQNUDNJ-UHFFFAOYSA-N
XLogP3.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone (CID 4784108) is 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is ODVDIOYDQNUDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O2/c1-11(26)24-7-9-25(10-8-24)18-13(14(20)15(21)16(22)17(18)23)19(27)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3.
What are the key properties of 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone?
1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 380.34 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-benzoyl-3,4,5,6-tetrafluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 4784108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).