2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide

C27H25F3N2O3 — CID 39511020

IUPAC2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1
InChIInChI=1S/C27H25F3N2O3/c1-18-6-2-3-11-24(18)25(33)31-21-12-14-32(15-13-21)26(34)19-7-4-9-22(16-19)35-23-10-5-8-20(17-23)27(28,29)30/h2-11,16-17,21H,12-15H2,1H3,(H,31,33)
InChIKeyLYWZATNGMCOXNX-UHFFFAOYSA-N
MW482.50 g/mol
LogP5.84
Rot. Bonds5

About 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide (PubChem CID 39511020) has the molecular formula C27H25F3N2O3 and a molecular weight of 482.50 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide
PubChem CID39511020
Molecular FormulaC27H25F3N2O3
Molecular Weight482.50 g/mol
Exact Mass482.18
IUPAC Name2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1
InChIInChI=1S/C27H25F3N2O3/c1-18-6-2-3-11-24(18)25(33)31-21-12-14-32(15-13-21)26(34)19-7-4-9-22(16-19)35-23-10-5-8-20(17-23)27(28,29)30/h2-11,16-17,21H,12-15H2,1H3,(H,31,33)
InChIKeyLYWZATNGMCOXNX-UHFFFAOYSA-N
XLogP5.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide (CID 39511020) is 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1.
What is the InChIKey of 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide?
The InChIKey is LYWZATNGMCOXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N2O3/c1-18-6-2-3-11-24(18)25(33)31-21-12-14-32(15-13-21)26(34)19-7-4-9-22(16-19)35-23-10-5-8-20(17-23)27(28,29)30/h2-11,16-17,21H,12-15H2,1H3,(H,31,33).
What are the key properties of 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide has a molecular weight of 482.50 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-[3-(trifluoromethyl)phenoxy]benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 39511020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).