1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one

C26H26F2N4O2 — CID 166166725

IUPAC1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(-c2cc(F)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1F
InChIInChI=1S/C26H26F2N4O2/c27-19-15-20(17-4-5-23(22(28)13-17)32-10-2-1-3-25(32)33)26(34)21(16-19)18-6-7-30-24(14-18)31-11-8-29-9-12-31/h4-7,13-16,29,34H,1-3,8-12H2
InChIKeyNSZIHUNTLXRPOX-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.33
Rot. Bonds4

About 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one

1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one (PubChem CID 166166725) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one
PubChem CID166166725
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccc(-c2cc(F)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1F
InChIInChI=1S/C26H26F2N4O2/c27-19-15-20(17-4-5-23(22(28)13-17)32-10-2-1-3-25(32)33)26(34)21(16-19)18-6-7-30-24(14-18)31-11-8-29-9-12-31/h4-7,13-16,29,34H,1-3,8-12H2
InChIKeyNSZIHUNTLXRPOX-UHFFFAOYSA-N
XLogP4.33
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one (CID 166166725) is 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one is O=C1CCCCN1c1ccc(-c2cc(F)cc(-c3ccnc(N4CCNCC4)c3)c2O)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one?
The InChIKey is NSZIHUNTLXRPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c27-19-15-20(17-4-5-23(22(28)13-17)32-10-2-1-3-25(32)33)26(34)21(16-19)18-6-7-30-24(14-18)31-11-8-29-9-12-31/h4-7,13-16,29,34H,1-3,8-12H2.
What are the key properties of 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one?
1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one has a molecular weight of 464.52 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[5-fluoro-2-hydroxy-3-(2-piperazin-1-yl-4-pyridinyl)phenyl]phenyl]piperidin-2-one is sourced from PubChem (CID 166166725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).