[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone

C26H28FN5O2 — CID 56943142

IUPAC[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCNCC1
InChIInChI=1S/C26H28FN5O2/c27-20-3-7-23(8-4-20)34-22-5-1-19(2-6-22)24-17-21(31-13-9-28-10-14-31)18-25(30-24)26(33)32-15-11-29-12-16-32/h1-8,17-18,28-29H,9-16H2
InChIKeyRJDVJGQUZZTXDM-UHFFFAOYSA-N
MW461.54 g/mol
LogP3.13
Rot. Bonds5

About [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone

[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 56943142) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID56943142
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC Name[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone
SMILESO=C(c1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCNCC1
InChIInChI=1S/C26H28FN5O2/c27-20-3-7-23(8-4-20)34-22-5-1-19(2-6-22)24-17-21(31-13-9-28-10-14-31)18-25(30-24)26(33)32-15-11-29-12-16-32/h1-8,17-18,28-29H,9-16H2
InChIKeyRJDVJGQUZZTXDM-UHFFFAOYSA-N
XLogP3.13
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone (CID 56943142) is [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone is O=C(c1cc(N2CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)N1CCNCC1.
What is the InChIKey of [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is RJDVJGQUZZTXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c27-20-3-7-23(8-4-20)34-22-5-1-19(2-6-22)24-17-21(31-13-9-28-10-14-31)18-25(30-24)26(33)32-15-11-29-12-16-32/h1-8,17-18,28-29H,9-16H2.
What are the key properties of [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone?
[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 461.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56943142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).