4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide

C23H26F3N3O3 — CID 41199883

IUPAC4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1
InChIInChI=1S/C23H26F3N3O3/c24-23(25,26)16-32-15-18-8-6-17(7-9-18)14-27-22(31)29-12-10-19(11-13-29)21(30)28-20-4-2-1-3-5-20/h1-9,19H,10-16H2,(H,27,31)(H,28,30)
InChIKeyUKARXVHFCDDXOK-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.33
Rot. Bonds7

About 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide

4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide (PubChem CID 41199883) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
PubChem CID41199883
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC Name4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1
InChIInChI=1S/C23H26F3N3O3/c24-23(25,26)16-32-15-18-8-6-17(7-9-18)14-27-22(31)29-12-10-19(11-13-29)21(30)28-20-4-2-1-3-5-20/h1-9,19H,10-16H2,(H,27,31)(H,28,30)
InChIKeyUKARXVHFCDDXOK-UHFFFAOYSA-N
XLogP4.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

tert-butyl 4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylcarbamoyl]piperazine-1-carboxylate
CID 41200103
4-N-phenyl-1-N-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]piperidine-1,4-dicarboxamide
CID 146086528
1-methylsulfonyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 30087660
4-(furan-2-carbonyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 41199927
2-anilino-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119699219
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
4-(3-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperazine-1-carboxamide
CID 41199851
1-N-phenyl-4-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 26447107
1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 55794785
1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 87034533
ethyl 1-[N'-methyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156104
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 42090586

Frequently Asked Questions

What is the IUPAC name of 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide (CID 41199883) is 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)NCc2ccc(COCC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
The InChIKey is UKARXVHFCDDXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c24-23(25,26)16-32-15-18-8-6-17(7-9-18)14-27-22(31)29-12-10-19(11-13-29)21(30)28-20-4-2-1-3-5-20/h1-9,19H,10-16H2,(H,27,31)(H,28,30).
What are the key properties of 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide?
4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide has a molecular weight of 449.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 41199883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).