[2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

C27H24F2N2O5 — CID 30321357

IUPAC[2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H24F2N2O5/c28-19-10-11-21(22(29)16-19)26(33)31-14-12-18(13-15-31)27(34)35-17-25(32)30-23-8-4-5-9-24(23)36-20-6-2-1-3-7-20/h1-11,16,18H,12-15,17H2,(H,30,32)
InChIKeyVTHNCPZNBPFQLA-UHFFFAOYSA-N
MW494.49 g/mol
LogP4.79
Rot. Bonds7

About [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

[2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (PubChem CID 30321357) has the molecular formula C27H24F2N2O5 and a molecular weight of 494.49 g/mol. Its IUPAC name is [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
PubChem CID30321357
Molecular FormulaC27H24F2N2O5
Molecular Weight494.49 g/mol
Exact Mass494.17
IUPAC Name[2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H24F2N2O5/c28-19-10-11-21(22(29)16-19)26(33)31-14-12-18(13-15-31)27(34)35-17-25(32)30-23-8-4-5-9-24(23)36-20-6-2-1-3-7-20/h1-11,16,18H,12-15,17H2,(H,30,32)
InChIKeyVTHNCPZNBPFQLA-UHFFFAOYSA-N
XLogP4.79
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 34776452
(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 43029960
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693
[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-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322407
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 30704409
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 55375713
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
[2-(2,5-difluoroanilino)-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 8697581
[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
2,4-difluoro-N-(2-phenoxyphenyl)benzamide
CID 4797438

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (CID 30321357) is [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is O=C(COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is VTHNCPZNBPFQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N2O5/c28-19-10-11-21(22(29)16-19)26(33)31-14-12-18(13-15-31)27(34)35-17-25(32)30-23-8-4-5-9-24(23)36-20-6-2-1-3-7-20/h1-11,16,18H,12-15,17H2,(H,30,32).
What are the key properties of [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
[2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 494.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenoxyanilino)ethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 30321357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).