2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C23H25ClF2N4O2 — CID 60510749

IUPAC2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H25ClF2N4O2/c24-17-5-6-19(25)18(15-17)23(32)30-9-7-27(8-10-30)16-22(31)29-13-11-28(12-14-29)21-4-2-1-3-20(21)26/h1-6,15H,7-14,16H2
InChIKeyOAHGWOYUHKVENX-UHFFFAOYSA-N
MW462.93 g/mol
LogP2.72
Rot. Bonds4

About 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 60510749) has the molecular formula C23H25ClF2N4O2 and a molecular weight of 462.93 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID60510749
Molecular FormulaC23H25ClF2N4O2
Molecular Weight462.93 g/mol
Exact Mass462.16
IUPAC Name2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H25ClF2N4O2/c24-17-5-6-19(25)18(15-17)23(32)30-9-7-27(8-10-30)16-22(31)29-13-11-28(12-14-29)21-4-2-1-3-20(21)26/h1-6,15H,7-14,16H2
InChIKeyOAHGWOYUHKVENX-UHFFFAOYSA-N
XLogP2.72
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.93
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 60510749) is 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is OAHGWOYUHKVENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N4O2/c24-17-5-6-19(25)18(15-17)23(32)30-9-7-27(8-10-30)16-22(31)29-13-11-28(12-14-29)21-4-2-1-3-20(21)26/h1-6,15H,7-14,16H2.
What are the key properties of 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 462.93 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60510749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).