ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate

C23H28N2O3 — CID 16554667

IUPACethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(C)C(=O)Nc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c1-3-28-23(27)19-12-9-15-25(16-19)17(2)22(26)24-21-14-8-7-13-20(21)18-10-5-4-6-11-18/h4-8,10-11,13-14,17,19H,3,9,12,15-16H2,1-2H3,(H,24,26)
InChIKeyQENSIGLAJLQUMI-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.96
Rot. Bonds6

About ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate

ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate (PubChem CID 16554667) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate
PubChem CID16554667
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(C)C(=O)Nc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C23H28N2O3/c1-3-28-23(27)19-12-9-15-25(16-19)17(2)22(26)24-21-14-8-7-13-20(21)18-10-5-4-6-11-18/h4-8,10-11,13-14,17,19H,3,9,12,15-16H2,1-2H3,(H,24,26)
InChIKeyQENSIGLAJLQUMI-UHFFFAOYSA-N
XLogP3.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate (CID 16554667) is ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(C)C(=O)Nc2ccccc2-c2ccccc2)C1.
What is the InChIKey of ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate?
The InChIKey is QENSIGLAJLQUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-3-28-23(27)19-12-9-15-25(16-19)17(2)22(26)24-21-14-8-7-13-20(21)18-10-5-4-6-11-18/h4-8,10-11,13-14,17,19H,3,9,12,15-16H2,1-2H3,(H,24,26).
What are the key properties of ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate?
ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-oxo-1-(2-phenylanilino)propan-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 16554667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).