[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

C23H22F2N2O5 — CID 30322407

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H22F2N2O5/c1-14(28)26-18-5-2-15(3-6-18)21(29)13-32-23(31)16-8-10-27(11-9-16)22(30)19-7-4-17(24)12-20(19)25/h2-7,12,16H,8-11,13H2,1H3,(H,26,28)
InChIKeyBQDMUCCHYISBBD-UHFFFAOYSA-N
MW444.43 g/mol
LogP3.20
Rot. Bonds6

About [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (PubChem CID 30322407) has the molecular formula C23H22F2N2O5 and a molecular weight of 444.43 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
PubChem CID30322407
Molecular FormulaC23H22F2N2O5
Molecular Weight444.43 g/mol
Exact Mass444.15
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H22F2N2O5/c1-14(28)26-18-5-2-15(3-6-18)21(29)13-32-23(31)16-8-10-27(11-9-16)22(30)19-7-4-17(24)12-20(19)25/h2-7,12,16H,8-11,13H2,1H3,(H,26,28)
InChIKeyBQDMUCCHYISBBD-UHFFFAOYSA-N
XLogP3.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate with MolForge

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Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 34776452
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
butyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737604
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322796
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322574
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 55375713
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 43029960
[2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30321357
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (CID 30322407) is [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is CC(=O)Nc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is BQDMUCCHYISBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O5/c1-14(28)26-18-5-2-15(3-6-18)21(29)13-32-23(31)16-8-10-27(11-9-16)22(30)19-7-4-17(24)12-20(19)25/h2-7,12,16H,8-11,13H2,1H3,(H,26,28).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 444.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 30322407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).