[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate

C23H25N3O5 — CID 55426124

IUPAC[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H25N3O5/c1-16(27)24-20-11-9-17(10-12-20)21(28)15-31-22(29)18-6-5-13-26(14-18)23(30)25-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,24,27)(H,25,30)
InChIKeyAUWJPQHMHUOGJN-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.32
Rot. Bonds6

About [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate

[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate (PubChem CID 55426124) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
PubChem CID55426124
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESCC(=O)Nc1ccc(C(=O)COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1
InChIInChI=1S/C23H25N3O5/c1-16(27)24-20-11-9-17(10-12-20)21(28)15-31-22(29)18-6-5-13-26(14-18)23(30)25-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,24,27)(H,25,30)
InChIKeyAUWJPQHMHUOGJN-UHFFFAOYSA-N
XLogP3.32
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426147
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836463
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426064
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] (3S)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95591572
ethyl 1-[4-(phenylcarbamoylamino)benzoyl]piperidine-3-carboxylate
CID 51250741
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] (3R)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95351124
(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55634436
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426204
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55444689
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
(3-methyl-1,2-oxazol-5-yl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 47013955

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate (CID 55426124) is [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate is CC(=O)Nc1ccc(C(=O)COC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1.
What is the InChIKey of [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is AUWJPQHMHUOGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-16(27)24-20-11-9-17(10-12-20)21(28)15-31-22(29)18-6-5-13-26(14-18)23(30)25-19-7-3-2-4-8-19/h2-4,7-12,18H,5-6,13-15H2,1H3,(H,24,27)(H,25,30).
What are the key properties of [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55426124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).