1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone

C25H23FN2O2 — CID 579768

IUPAC1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H23FN2O2/c26-22-14-8-7-13-21(22)24(29)27-15-17-28(18-16-27)25(30)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyYXWNFOWCQDRNOC-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.94
Rot. Bonds4

About 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone

1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 579768) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
PubChem CID579768
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
SMILESO=C(c1ccccc1F)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H23FN2O2/c26-22-14-8-7-13-21(22)24(29)27-15-17-28(18-16-27)25(30)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2
InChIKeyYXWNFOWCQDRNOC-UHFFFAOYSA-N
XLogP3.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone (CID 579768) is 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone is O=C(c1ccccc1F)N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone?
The InChIKey is YXWNFOWCQDRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c26-22-14-8-7-13-21(22)24(29)27-15-17-28(18-16-27)25(30)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2.
What are the key properties of 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone?
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 402.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 579768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).