N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide

C27H27F3N2O — CID 42858255

IUPACN-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H27F3N2O/c1-20-6-5-9-25(18-20)32(26(33)22-7-3-2-4-8-22)24-14-16-31(17-15-24)19-21-10-12-23(13-11-21)27(28,29)30/h2-13,18,24H,14-17,19H2,1H3
InChIKeyAXFFGLFIQGLQFT-UHFFFAOYSA-N
MW452.52 g/mol
LogP6.33
Rot. Bonds5

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

N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 42858255) has the molecular formula C27H27F3N2O and a molecular weight of 452.52 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID42858255
Molecular FormulaC27H27F3N2O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC NameN-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H27F3N2O/c1-20-6-5-9-25(18-20)32(26(33)22-7-3-2-4-8-22)24-14-16-31(17-15-24)19-21-10-12-23(13-11-21)27(28,29)30/h2-13,18,24H,14-17,19H2,1H3
InChIKeyAXFFGLFIQGLQFT-UHFFFAOYSA-N
XLogP6.33
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
2-fluoro-N-(3-methylphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]benzamide
CID 46052954
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
CID 46054292
2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide
CID 42853384
N-(3-fluoro-4-methylphenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 46160593
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbenzamide
CID 46054475
N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide
CID 46055125
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
CID 46054860
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
3-methyl-N-(4-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055270

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 42858255) is N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is Cc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is AXFFGLFIQGLQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O/c1-20-6-5-9-25(18-20)32(26(33)22-7-3-2-4-8-22)24-14-16-31(17-15-24)19-21-10-12-23(13-11-21)27(28,29)30/h2-13,18,24H,14-17,19H2,1H3.
What are the key properties of N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 452.52 g/mol, XLogP of 6.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 42858255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).