N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

C24H26F3N3O4 — CID 54596690

IUPACN-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESO=C(CNC(=O)COc1ccc(C(F)(F)F)cc1)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H26F3N3O4/c25-24(26,27)19-8-10-20(11-9-19)34-16-22(32)29-15-21(31)28-14-17-4-6-18(7-5-17)23(33)30-12-2-1-3-13-30/h4-11H,1-3,12-16H2,(H,28,31)(H,29,32)
InChIKeyOBPUURKKQFSYON-UHFFFAOYSA-N
MW477.48 g/mol
LogP3.14
Rot. Bonds8

About N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (PubChem CID 54596690) has the molecular formula C24H26F3N3O4 and a molecular weight of 477.48 g/mol. Its IUPAC name is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
PubChem CID54596690
Molecular FormulaC24H26F3N3O4
Molecular Weight477.48 g/mol
Exact Mass477.19
IUPAC NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide
SMILESO=C(CNC(=O)COc1ccc(C(F)(F)F)cc1)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H26F3N3O4/c25-24(26,27)19-8-10-20(11-9-19)34-16-22(32)29-15-21(31)28-14-17-4-6-18(7-5-17)23(33)30-12-2-1-3-13-30/h4-11H,1-3,12-16H2,(H,28,31)(H,29,32)
InChIKeyOBPUURKKQFSYON-UHFFFAOYSA-N
XLogP3.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide (CID 54596690) is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide.
What is the SMILES notation for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The canonical SMILES for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is O=C(CNC(=O)COc1ccc(C(F)(F)F)cc1)NCc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
The InChIKey is OBPUURKKQFSYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O4/c25-24(26,27)19-8-10-20(11-9-19)34-16-22(32)29-15-21(31)28-14-17-4-6-18(7-5-17)23(33)30-12-2-1-3-13-30/h4-11H,1-3,12-16H2,(H,28,31)(H,29,32).
What are the key properties of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide?
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide has a molecular weight of 477.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]acetamide is sourced from PubChem (CID 54596690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).