[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate

C23H26N2O5 — CID 55818110

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C23H26N2O5/c1-2-22(27)25-14-6-7-17(15-25)23(28)29-16-21(26)24-18-10-12-20(13-11-18)30-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-16H2,1H3,(H,24,26)
InChIKeyONHAILXKGPORHI-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.61
Rot. Bonds7

About [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate

[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate (PubChem CID 55818110) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate
PubChem CID55818110
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C23H26N2O5/c1-2-22(27)25-14-6-7-17(15-25)23(28)29-16-21(26)24-18-10-12-20(13-11-18)30-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-16H2,1H3,(H,24,26)
InChIKeyONHAILXKGPORHI-UHFFFAOYSA-N
XLogP3.61
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
CID 55817828
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (3R)-1-propanoylpiperidine-3-carboxylate
CID 51962025
[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (3S)-1-propanoylpiperidine-3-carboxylate
CID 51962024
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019701
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
CID 55817891
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426124
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426064
ethyl (3S)-1-[4-(phenoxycarbonylamino)benzoyl]piperidine-3-carboxylate
CID 156780894
[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717429
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55444689

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate (CID 55818110) is [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate is CCC(=O)N1CCCC(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate?
The InChIKey is ONHAILXKGPORHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-2-22(27)25-14-6-7-17(15-25)23(28)29-16-21(26)24-18-10-12-20(13-11-18)30-19-8-4-3-5-9-19/h3-5,8-13,17H,2,6-7,14-16H2,1H3,(H,24,26).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 55818110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).