3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide

C34H33F3N2O3 — CID 59004310

IUPAC3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(CN2CCC(Oc3cccc(NC(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1
InChIInChI=1S/C34H33F3N2O3/c1-23-9-11-25(12-10-23)22-39-19-17-28(18-20-39)41-30-7-4-6-27(21-30)38-33(40)31-8-3-5-24(2)32(31)26-13-15-29(16-14-26)42-34(35,36)37/h3-16,21,28H,17-20,22H2,1-2H3,(H,38,40)
InChIKeyFWONPVZYAUWYSK-UHFFFAOYSA-N
MW574.64 g/mol
LogP8.16
Rot. Bonds8

About 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide

3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 59004310) has the molecular formula C34H33F3N2O3 and a molecular weight of 574.64 g/mol. Its IUPAC name is 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID59004310
Molecular FormulaC34H33F3N2O3
Molecular Weight574.64 g/mol
Exact Mass574.24
IUPAC Name3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide
SMILESCc1ccc(CN2CCC(Oc3cccc(NC(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1
InChIInChI=1S/C34H33F3N2O3/c1-23-9-11-25(12-10-23)22-39-19-17-28(18-20-39)41-30-7-4-6-27(21-30)38-33(40)31-8-3-5-24(2)32(31)26-13-15-29(16-14-26)42-34(35,36)37/h3-16,21,28H,17-20,22H2,1-2H3,(H,38,40)
InChIKeyFWONPVZYAUWYSK-UHFFFAOYSA-N
XLogP8.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.64
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide with MolForge

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Related Compounds

N-[(1R,5R,7S)-5-methyl-5-tricyclo[5.2.1.03,9]dec-3-enyl]-4-[3-[[3-methyl-2-[4-(trifluoromethoxy)phenyl]benzoyl]amino]phenoxy]piperidine-1-carboxamide
CID 143150868
ethyl 2-[[4-[3-[[3-methyl-2-phenyl-5-(trifluoromethoxy)benzoyl]amino]phenoxy]piperidine-1-carbonyl]amino]acetate
CID 91310381
N-(3-methoxyphenyl)-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetamide
CID 35159364
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
N-(3-cyclopentyloxyphenyl)-5-methylfuran-2-carboxamide
CID 690631
5-[[2-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 30872112
2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
CID 69075859
N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-methylphenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526153
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 177337432
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide (CID 59004310) is 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide is Cc1ccc(CN2CCC(Oc3cccc(NC(=O)c4cccc(C)c4-c4ccc(OC(F)(F)F)cc4)c3)CC2)cc1.
What is the InChIKey of 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is FWONPVZYAUWYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N2O3/c1-23-9-11-25(12-10-23)22-39-19-17-28(18-20-39)41-30-7-4-6-27(21-30)38-33(40)31-8-3-5-24(2)32(31)26-13-15-29(16-14-26)42-34(35,36)37/h3-16,21,28H,17-20,22H2,1-2H3,(H,38,40).
What are the key properties of 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide?
3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 574.64 g/mol, XLogP of 8.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyphenyl]-2-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 59004310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).