N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide

C21H24F3N3O2 — CID 54432541

IUPACN-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NOCc1ccccc1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)19-8-4-7-18(13-19)14-26-9-11-27(12-10-26)15-20(28)25-29-16-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,25,28)
InChIKeyWIMLFAFZLUKKQS-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.07
Rot. Bonds7

About N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide

N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide (PubChem CID 54432541) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
PubChem CID54432541
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NOCc1ccccc1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)19-8-4-7-18(13-19)14-26-9-11-27(12-10-26)15-20(28)25-29-16-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,25,28)
InChIKeyWIMLFAFZLUKKQS-UHFFFAOYSA-N
XLogP3.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide (CID 54432541) is N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide is O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)CC1)NOCc1ccccc1.
What is the InChIKey of N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide?
The InChIKey is WIMLFAFZLUKKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c22-21(23,24)19-8-4-7-18(13-19)14-26-9-11-27(12-10-26)15-20(28)25-29-16-17-5-2-1-3-6-17/h1-8,13H,9-12,14-16H2,(H,25,28).
What are the key properties of N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide?
N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide has a molecular weight of 407.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 54432541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).