[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate

C23H24F2N2O5 — CID 35974572

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)CC1
InChIInChI=1S/C23H24F2N2O5/c1-16(28)27-13-11-23(12-14-27,17-7-3-2-4-8-17)21(30)31-15-20(29)26-18-9-5-6-10-19(18)32-22(24)25/h2-10,22H,11-15H2,1H3,(H,26,29)
InChIKeyKWIKXDKOSWRKBL-UHFFFAOYSA-N
MW446.45 g/mol
LogP3.35
Rot. Bonds7

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 35974572) has the molecular formula C23H24F2N2O5 and a molecular weight of 446.45 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID35974572
Molecular FormulaC23H24F2N2O5
Molecular Weight446.45 g/mol
Exact Mass446.17
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)CC1
InChIInChI=1S/C23H24F2N2O5/c1-16(28)27-13-11-23(12-14-27,17-7-3-2-4-8-17)21(30)31-15-20(29)26-18-9-5-6-10-19(18)32-22(24)25/h2-10,22H,11-15H2,1H3,(H,26,29)
InChIKeyKWIKXDKOSWRKBL-UHFFFAOYSA-N
XLogP3.35
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990278
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990301
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526904
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588492
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-oxopentanoate
CID 8613385
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806358
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833478
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
[2-(butylcarbamoylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8949977
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7821391
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510947
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3529146

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 35974572) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is CC(=O)N1CCC(C(=O)OCC(=O)Nc2ccccc2OC(F)F)(c2ccccc2)CC1.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is KWIKXDKOSWRKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O5/c1-16(28)27-13-11-23(12-14-27,17-7-3-2-4-8-17)21(30)31-15-20(29)26-18-9-5-6-10-19(18)32-22(24)25/h2-10,22H,11-15H2,1H3,(H,26,29).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 446.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 35974572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).