[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone

C26H23F2NO3 — CID 112843502

IUPAC[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C26H23F2NO3/c1-17-6-8-18(9-7-17)25(30)21-4-2-3-5-22(21)26(31)29-14-12-20(13-15-29)32-24-11-10-19(27)16-23(24)28/h2-11,16,20H,12-15H2,1H3
InChIKeyLXMQAVRXSXWMEU-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.19
Rot. Bonds5

About [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone

[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone (PubChem CID 112843502) has the molecular formula C26H23F2NO3 and a molecular weight of 435.47 g/mol. Its IUPAC name is [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
PubChem CID112843502
Molecular FormulaC26H23F2NO3
Molecular Weight435.47 g/mol
Exact Mass435.16
IUPAC Name[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C26H23F2NO3/c1-17-6-8-18(9-7-17)25(30)21-4-2-3-5-22(21)26(31)29-14-12-20(13-15-29)32-24-11-10-19(27)16-23(24)28/h2-11,16,20H,12-15H2,1H3
InChIKeyLXMQAVRXSXWMEU-UHFFFAOYSA-N
XLogP5.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 119944781
(2-anilinophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112843416
N-[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 112843501
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 112836609
(2-bromo-5-fluorophenyl)-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone
CID 112836700
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 112836515
[2-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119561443
[4-(aminomethyl)phenyl]-[4-(2,4-difluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119296579
[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119544374
[4-(2,4-difluorophenoxy)piperidin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 112843442
N-[4-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 112836565
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The IUPAC name of [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone (CID 112843502) is [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The canonical SMILES for [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
The InChIKey is LXMQAVRXSXWMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2NO3/c1-17-6-8-18(9-7-17)25(30)21-4-2-3-5-22(21)26(31)29-14-12-20(13-15-29)32-24-11-10-19(27)16-23(24)28/h2-11,16,20H,12-15H2,1H3.
What are the key properties of [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone?
[2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone has a molecular weight of 435.47 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 112843502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).