[4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone

C30H32F3N3O3 — CID 59648198

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C30H32F3N3O3/c1-38-27-11-6-5-10-26(27)34-18-20-35(21-19-34)28(37)29(39-25-14-12-23(13-15-25)30(31,32)33)16-7-17-36(22-29)24-8-3-2-4-9-24/h2-6,8-15H,7,16-22H2,1H3
InChIKeyXCRXZPFUVZNUTH-UHFFFAOYSA-N
MW539.60 g/mol
LogP5.48
Rot. Bonds6

About [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone (PubChem CID 59648198) has the molecular formula C30H32F3N3O3 and a molecular weight of 539.60 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
PubChem CID59648198
Molecular FormulaC30H32F3N3O3
Molecular Weight539.60 g/mol
Exact Mass539.24
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(c3ccccc3)C2)CC1
InChIInChI=1S/C30H32F3N3O3/c1-38-27-11-6-5-10-26(27)34-18-20-35(21-19-34)28(37)29(39-25-14-12-23(13-15-25)30(31,32)33)16-7-17-36(22-29)24-8-3-2-4-9-24/h2-6,8-15H,7,16-22H2,1H3
InChIKeyXCRXZPFUVZNUTH-UHFFFAOYSA-N
XLogP5.48
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.60
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 59648057
[4-(2-methoxyphenyl)piperazin-1-yl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone
CID 59647949
[(2R)-5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-5-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 59648158
2-(4-methoxyphenyl)-1-[3-(4-methylpiperazine-1-carbonyl)-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 24823972
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108530744
N-[2-[4-[3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidine-3-carbonyl]piperazin-1-yl]phenyl]methanesulfonamide
CID 59648138
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 29260743
methyl 3-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]-1-[4-(trifluoromethyl)pyridine-3-carbonyl]piperidin-2-yl]propanoate
CID 59648069
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119826585
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198236
[(3S)-3-[4-[2-(2-methoxyethoxy)phenyl]-2-(methoxymethyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 59648174
(2,2-dioxo-2λ6-thia-7-azaspiro[3.5]nonan-7-yl)-[1-[4-(trifluoromethyl)phenoxy]cyclopentyl]methanone
CID 168907554

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone (CID 59648198) is [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone is COc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(c3ccccc3)C2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone?
The InChIKey is XCRXZPFUVZNUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N3O3/c1-38-27-11-6-5-10-26(27)34-18-20-35(21-19-34)28(37)29(39-25-14-12-23(13-15-25)30(31,32)33)16-7-17-36(22-29)24-8-3-2-4-9-24/h2-6,8-15H,7,16-22H2,1H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone has a molecular weight of 539.60 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[1-phenyl-3-[4-(trifluoromethyl)phenoxy]piperidin-3-yl]methanone is sourced from PubChem (CID 59648198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).