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

C25H26FN3O4 — CID 123486330

IUPAC[6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone
SMILESCOC(CO)c1cc(C(=O)N2CCNCC2)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H26FN3O4/c1-32-24(16-30)18-14-22(28-23(15-18)25(31)29-12-10-27-11-13-29)17-2-6-20(7-3-17)33-21-8-4-19(26)5-9-21/h2-9,14-15,24,27,30H,10-13,16H2,1H3
InChIKeySWCUHEFWNLRKJZ-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.41
Rot. Bonds7

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

[6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone (PubChem CID 123486330) has the molecular formula C25H26FN3O4 and a molecular weight of 451.50 g/mol. Its IUPAC name is [6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone
PubChem CID123486330
Molecular FormulaC25H26FN3O4
Molecular Weight451.50 g/mol
Exact Mass451.19
IUPAC Name[6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone
SMILESCOC(CO)c1cc(C(=O)N2CCNCC2)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C25H26FN3O4/c1-32-24(16-30)18-14-22(28-23(15-18)25(31)29-12-10-27-11-13-29)17-2-6-20(7-3-17)33-21-8-4-19(26)5-9-21/h2-9,14-15,24,27,30H,10-13,16H2,1H3
InChIKeySWCUHEFWNLRKJZ-UHFFFAOYSA-N
XLogP3.41
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

[4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-piperazin-1-ylmethanone;[4-ethenyl-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 159790861
[6-[4-(4-fluorophenoxy)phenyl]-4-piperidin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone
CID 147614300
4-[(1R)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid
CID 66668235
4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylic acid
CID 66668236
3-[4-[4-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 66668737
(1R)-1-[6-[4-(4-fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]ethane-1,2-diol
CID 56943334
(1R)-1-[2-ethyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
CID 141325303
(1R)-1-[2-(1,2-dihydroxyethyl)-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]ethane-1,2-diol
CID 66801770
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-[(1S)-1,2-dihydroxyethyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56644318
4-[(2R)-2,3-dihydroxypropyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799547
4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66806391
2,4-dichloro-6-[4-(4-fluorophenoxy)phenyl]pyridine;methyl 1-[4-chloro-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]piperidine-4-carboxylate;methyl piperidine-4-carboxylate
CID 159163194

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone (CID 123486330) is [6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone is COC(CO)c1cc(C(=O)N2CCNCC2)nc(-c2ccc(Oc3ccc(F)cc3)cc2)c1.
What is the InChIKey of [6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone?
The InChIKey is SWCUHEFWNLRKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4/c1-32-24(16-30)18-14-22(28-23(15-18)25(31)29-12-10-27-11-13-29)17-2-6-20(7-3-17)33-21-8-4-19(26)5-9-21/h2-9,14-15,24,27,30H,10-13,16H2,1H3.
What are the key properties of [6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone?
[6-[4-(4-fluorophenoxy)phenyl]-4-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone has a molecular weight of 451.50 g/mol, XLogP of 3.41, 7 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-(2-hydroxy-1-methoxyethyl)-2-pyridinyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 123486330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).