N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide

C25H26F2N4O2 — CID 71200295

IUPACN-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C25H26F2N4O2/c1-33-15-12-23(32)29-21-10-13-31(14-11-21)22-16-28-24(17-2-6-19(26)7-3-17)25(30-22)18-4-8-20(27)9-5-18/h2-9,16,21H,10-15H2,1H3,(H,29,32)
InChIKeyKSORZMXEERGUGM-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.21
Rot. Bonds7

About N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide

N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide (PubChem CID 71200295) has the molecular formula C25H26F2N4O2 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
PubChem CID71200295
Molecular FormulaC25H26F2N4O2
Molecular Weight452.51 g/mol
Exact Mass452.20
IUPAC NameN-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C25H26F2N4O2/c1-33-15-12-23(32)29-21-10-13-31(14-11-21)22-16-28-24(17-2-6-19(26)7-3-17)25(30-22)18-4-8-20(27)9-5-18/h2-9,16,21H,10-15H2,1H3,(H,29,32)
InChIKeyKSORZMXEERGUGM-UHFFFAOYSA-N
XLogP4.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide (CID 71200295) is N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide is COCCC(=O)NC1CCN(c2cnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide?
The InChIKey is KSORZMXEERGUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O2/c1-33-15-12-23(32)29-21-10-13-31(14-11-21)22-16-28-24(17-2-6-19(26)7-3-17)25(30-22)18-4-8-20(27)9-5-18/h2-9,16,21H,10-15H2,1H3,(H,29,32).
What are the key properties of N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide?
N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide has a molecular weight of 452.51 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5,6-bis(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 71200295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).