[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate

C23H27N3O4 — CID 55426064

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESO=C(COC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)NCCc1ccccc1
InChIInChI=1S/C23H27N3O4/c27-21(24-14-13-18-8-3-1-4-9-18)17-30-22(28)19-10-7-15-26(16-19)23(29)25-20-11-5-2-6-12-20/h1-6,8-9,11-12,19H,7,10,13-17H2,(H,24,27)(H,25,29)
InChIKeyITPTXRSQQTUXHB-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.83
Rot. Bonds7

About [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate (PubChem CID 55426064) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
PubChem CID55426064
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
SMILESO=C(COC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)NCCc1ccccc1
InChIInChI=1S/C23H27N3O4/c27-21(24-14-13-18-8-3-1-4-9-18)17-30-22(28)19-10-7-15-26(16-19)23(29)25-20-11-5-2-6-12-20/h1-6,8-9,11-12,19H,7,10,13-17H2,(H,24,27)(H,25,29)
InChIKeyITPTXRSQQTUXHB-UHFFFAOYSA-N
XLogP2.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
[2-(4-benzylpiperazin-1-yl)-2-oxoethyl] (3R)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95351124
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426204
ethyl 1-(2-phenylethylcarbamothioyl)piperidine-3-carboxylate
CID 3789651
ethyl (3R)-1-(2-phenylethylcarbamothioyl)piperidine-3-carboxylate
CID 939416
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426124
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] (3S)-1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 95591572
(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55634436
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55444689
(3S)-1-N-phenyl-3-N-phenylmethoxypiperidine-1,3-dicarboxamide
CID 32578740
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate (CID 55426064) is [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate is O=C(COC(=O)C1CCCN(C(=O)Nc2ccccc2)C1)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is ITPTXRSQQTUXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c27-21(24-14-13-18-8-3-1-4-9-18)17-30-22(28)19-10-7-15-26(16-19)23(29)25-20-11-5-2-6-12-20/h1-6,8-9,11-12,19H,7,10,13-17H2,(H,24,27)(H,25,29).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 409.49 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55426064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).