[4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone

C22H22F3NO2 — CID 112836518

IUPAC[4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCC(Oc2ccc(F)cc2F)CC1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C22H22F3NO2/c23-16-4-1-3-15(13-16)22(9-2-10-22)21(27)26-11-7-18(8-12-26)28-20-6-5-17(24)14-19(20)25/h1,3-6,13-14,18H,2,7-12H2
InChIKeyMRPLLLBKZLKTLB-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.60
Rot. Bonds4

About [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone

[4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone (PubChem CID 112836518) has the molecular formula C22H22F3NO2 and a molecular weight of 389.42 g/mol. Its IUPAC name is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
PubChem CID112836518
Molecular FormulaC22H22F3NO2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name[4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCC(Oc2ccc(F)cc2F)CC1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C22H22F3NO2/c23-16-4-1-3-15(13-16)22(9-2-10-22)21(27)26-11-7-18(8-12-26)28-20-6-5-17(24)14-19(20)25/h1,3-6,13-14,18H,2,7-12H2
InChIKeyMRPLLLBKZLKTLB-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone with MolForge

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Related Compounds

(4-ethoxypiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 60557113
[1-(3-fluorophenyl)cyclobutyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 71938226
[3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 110148680
[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 125019143
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542873
[1-(3-fluorophenyl)cyclobutyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111430036
[1-(3-fluorophenyl)cyclobutyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542872
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
[1-(3-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561853
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone;hydrochloride
CID 119517548

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone?
The IUPAC name of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone (CID 112836518) is [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone.
What is the SMILES notation for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone?
The canonical SMILES for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone is O=C(N1CCC(Oc2ccc(F)cc2F)CC1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone?
The InChIKey is MRPLLLBKZLKTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO2/c23-16-4-1-3-15(13-16)22(9-2-10-22)21(27)26-11-7-18(8-12-26)28-20-6-5-17(24)14-19(20)25/h1,3-6,13-14,18H,2,7-12H2.
What are the key properties of [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone?
[4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone has a molecular weight of 389.42 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenoxy)piperidin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone is sourced from PubChem (CID 112836518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).