[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C28H28F2N4O2 — CID 2842516

IUPAC[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C28H28F2N4O2/c29-23-4-8-25(9-5-23)31-12-16-33(17-13-31)27(35)21-2-1-3-22(20-21)28(36)34-18-14-32(15-19-34)26-10-6-24(30)7-11-26/h1-11,20H,12-19H2
InChIKeyMGXNYBVKEOWFQD-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.89
Rot. Bonds4

About [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 2842516) has the molecular formula C28H28F2N4O2 and a molecular weight of 490.55 g/mol. Its IUPAC name is [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID2842516
Molecular FormulaC28H28F2N4O2
Molecular Weight490.55 g/mol
Exact Mass490.22
IUPAC Name[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C28H28F2N4O2/c29-23-4-8-25(9-5-23)31-12-16-33(17-13-31)27(35)21-2-1-3-22(20-21)28(36)34-18-14-32(15-19-34)26-10-6-24(30)7-11-26/h1-11,20H,12-19H2
InChIKeyMGXNYBVKEOWFQD-UHFFFAOYSA-N
XLogP3.89
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 2842516) is [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MGXNYBVKEOWFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N4O2/c29-23-4-8-25(9-5-23)31-12-16-33(17-13-31)27(35)21-2-1-3-22(20-21)28(36)34-18-14-32(15-19-34)26-10-6-24(30)7-11-26/h1-11,20H,12-19H2.
What are the key properties of [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 490.55 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2842516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).