(4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone

C30H25F4NO2 — CID 161180812

IUPAC(4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone
SMILESCCc1ccc(-c2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3F)cc2-c2ccc(F)cc2)o1
InChIInChI=1S/C30H25F4NO2/c1-2-23-9-12-28(37-23)25-11-5-20(17-26(25)19-3-7-22(31)8-4-19)24-10-6-21(18-27(24)32)29(36)35-15-13-30(33,34)14-16-35/h3-12,17-18H,2,13-16H2,1H3
InChIKeyMLHXSJWBTOMJQY-UHFFFAOYSA-N
MW507.53 g/mol
LogP7.99
Rot. Bonds5

About (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone

(4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone (PubChem CID 161180812) has the molecular formula C30H25F4NO2 and a molecular weight of 507.53 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone
PubChem CID161180812
Molecular FormulaC30H25F4NO2
Molecular Weight507.53 g/mol
Exact Mass507.18
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone
SMILESCCc1ccc(-c2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3F)cc2-c2ccc(F)cc2)o1
InChIInChI=1S/C30H25F4NO2/c1-2-23-9-12-28(37-23)25-11-5-20(17-26(25)19-3-7-22(31)8-4-19)24-10-6-21(18-27(24)32)29(36)35-15-13-30(33,34)14-16-35/h3-12,17-18H,2,13-16H2,1H3
InChIKeyMLHXSJWBTOMJQY-UHFFFAOYSA-N
XLogP7.99
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.53
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-[4-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-2-(4-fluorophenyl)phenyl]furan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 130176919
[4-(7-cyclobutyloxy-2-ethyl-1-benzofuran-5-yl)-3-fluorophenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 148678164
(4,4-difluoropiperidin-1-yl)-[4-[2-ethyl-7-(3-fluoro-5-methylphenyl)-1-benzofuran-5-yl]phenyl]methanone
CID 160677024
[4-[2-(2-aminoethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone;ethene
CID 145262537
[4-[2-(aminomethyl)-7-(4-fluorophenyl)-1-methylindol-5-yl]phenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 126601638
[4-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-fluorophenyl]-(3-methylazetidin-1-yl)methanone
CID 145262570
[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-methylcarbamic acid
CID 130176925
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251541
1-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]methyl]cyclopropane-1-carboxamide
CID 140901221
(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone
CID 159341232
(4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone
CID 174898820
[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-methylindol-2-yl]-methylcarbamic acid
CID 126601671

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone (CID 161180812) is (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone is CCc1ccc(-c2ccc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3F)cc2-c2ccc(F)cc2)o1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone?
The InChIKey is MLHXSJWBTOMJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F4NO2/c1-2-23-9-12-28(37-23)25-11-5-20(17-26(25)19-3-7-22(31)8-4-19)24-10-6-21(18-27(24)32)29(36)35-15-13-30(33,34)14-16-35/h3-12,17-18H,2,13-16H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone has a molecular weight of 507.53 g/mol, XLogP of 7.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone is sourced from PubChem (CID 161180812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).