[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone

C25H22F3NO3 — CID 112836609

IUPAC[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccccc1OCc1ccc(F)cc1)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C25H22F3NO3/c26-18-7-5-17(6-8-18)16-31-23-4-2-1-3-21(23)25(30)29-13-11-20(12-14-29)32-24-10-9-19(27)15-22(24)28/h1-10,15,20H,11-14,16H2
InChIKeyVGNJUBSEDAJMPN-UHFFFAOYSA-N
MW441.45 g/mol
LogP5.37
Rot. Bonds6

About [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone

[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone (PubChem CID 112836609) has the molecular formula C25H22F3NO3 and a molecular weight of 441.45 g/mol. Its IUPAC name is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
PubChem CID112836609
Molecular FormulaC25H22F3NO3
Molecular Weight441.45 g/mol
Exact Mass441.16
IUPAC Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
SMILESO=C(c1ccccc1OCc1ccc(F)cc1)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C25H22F3NO3/c26-18-7-5-17(6-8-18)16-31-23-4-2-1-3-21(23)25(30)29-13-11-20(12-14-29)32-24-10-9-19(27)15-22(24)28/h1-10,15,20H,11-14,16H2
InChIKeyVGNJUBSEDAJMPN-UHFFFAOYSA-N
XLogP5.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone with MolForge

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Related Compounds

(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
(4-aminopiperidin-1-yl)-[2-[(4-fluorophenyl)methoxy]phenyl]methanone;hydrochloride
CID 119373858
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 112843502
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449
N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 112843501
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
(4-chlorophenyl)-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46550478
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone?
The IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone (CID 112836609) is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone.
What is the SMILES notation for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone?
The canonical SMILES for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone is O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone?
The InChIKey is VGNJUBSEDAJMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3NO3/c26-18-7-5-17(6-8-18)16-31-23-4-2-1-3-21(23)25(30)29-13-11-20(12-14-29)32-24-10-9-19(27)15-22(24)28/h1-10,15,20H,11-14,16H2.
What are the key properties of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone?
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone has a molecular weight of 441.45 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone is sourced from PubChem (CID 112836609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).