4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

C27H26F3N3O3 — CID 127044255

IUPAC4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C27H26F3N3O3/c1-17-3-5-20(15-23(17)27(28,29)30)25(34)32-21-6-4-18(2)24(16-21)36-22-9-13-33(14-10-22)26(35)19-7-11-31-12-8-19/h3-8,11-12,15-16,22H,9-10,13-14H2,1-2H3,(H,32,34)
InChIKeyNNZNYVZZSXWBKB-UHFFFAOYSA-N
MW497.52 g/mol
LogP5.65
Rot. Bonds5

About 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide

4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 127044255) has the molecular formula C27H26F3N3O3 and a molecular weight of 497.52 g/mol. Its IUPAC name is 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
PubChem CID127044255
Molecular FormulaC27H26F3N3O3
Molecular Weight497.52 g/mol
Exact Mass497.19
IUPAC Name4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C27H26F3N3O3/c1-17-3-5-20(15-23(17)27(28,29)30)25(34)32-21-6-4-18(2)24(16-21)36-22-9-13-33(14-10-22)26(35)19-7-11-31-12-8-19/h3-8,11-12,15-16,22H,9-10,13-14H2,1-2H3,(H,32,34)
InChIKeyNNZNYVZZSXWBKB-UHFFFAOYSA-N
XLogP5.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide (CID 127044255) is 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2ccc(C)c(C(F)(F)F)c2)cc1OC1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NNZNYVZZSXWBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O3/c1-17-3-5-20(15-23(17)27(28,29)30)25(34)32-21-6-4-18(2)24(16-21)36-22-9-13-33(14-10-22)26(35)19-7-11-31-12-8-19/h3-8,11-12,15-16,22H,9-10,13-14H2,1-2H3,(H,32,34).
What are the key properties of 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide?
4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 497.52 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-methyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 127044255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).