[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone

C25H24ClF6NO2 — CID 59125548

IUPAC[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C25H24ClF6NO2/c26-20-4-2-17(3-5-20)23(8-1-9-23)22(34)33-10-6-21(7-11-33)35-15-16-12-18(24(27,28)29)14-19(13-16)25(30,31)32/h2-5,12-14,21H,1,6-11,15H2
InChIKeyBCRMUJMPQNDIQQ-UHFFFAOYSA-N
MW519.91 g/mol
LogP7.01
Rot. Bonds5

About [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone

[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone (PubChem CID 59125548) has the molecular formula C25H24ClF6NO2 and a molecular weight of 519.91 g/mol. Its IUPAC name is [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone
PubChem CID59125548
Molecular FormulaC25H24ClF6NO2
Molecular Weight519.91 g/mol
Exact Mass519.14
IUPAC Name[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone
SMILESO=C(N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C25H24ClF6NO2/c26-20-4-2-17(3-5-20)23(8-1-9-23)22(34)33-10-6-21(7-11-33)35-15-16-12-18(24(27,28)29)14-19(13-16)25(30,31)32/h2-5,12-14,21H,1,6-11,15H2
InChIKeyBCRMUJMPQNDIQQ-UHFFFAOYSA-N
XLogP7.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.91
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone with MolForge

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Related Compounds

4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine
CID 10196005
[4-(3-aminopropoxy)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 119664663
(5-chloro-2-fluorophenyl)-[4-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperazin-1-yl]methanone
CID 55716635
[1-(4-chlorophenyl)cyclopentyl]-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90539914
2-[1-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperidin-4-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268624
[1-(4-chlorophenyl)cyclobutyl]-(4-methylpiperazin-1-yl)methanone
CID 134016732
[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 78778814
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[4-(3-aminopropoxy)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone;hydrochloride
CID 119664552
[1-(4-bromophenyl)cyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 55555458
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153

Frequently Asked Questions

What is the IUPAC name of [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone?
The IUPAC name of [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone (CID 59125548) is [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone.
What is the SMILES notation for [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone?
The canonical SMILES for [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone is O=C(N1CCC(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone?
The InChIKey is BCRMUJMPQNDIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF6NO2/c26-20-4-2-17(3-5-20)23(8-1-9-23)22(34)33-10-6-21(7-11-33)35-15-16-12-18(24(27,28)29)14-19(13-16)25(30,31)32/h2-5,12-14,21H,1,6-11,15H2.
What are the key properties of [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone?
[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone has a molecular weight of 519.91 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]-[1-(4-chlorophenyl)cyclobutyl]methanone is sourced from PubChem (CID 59125548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).