ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate

C23H26N2O4 — CID 113008679

IUPACethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H26N2O4/c1-2-29-23(28)19-10-6-7-11-20(19)24-22(27)18-12-14-25(15-13-18)21(26)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,24,27)
InChIKeyLSQRASFZUQNFFZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.28
Rot. Bonds6

About ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate

ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 113008679) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID113008679
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C23H26N2O4/c1-2-29-23(28)19-10-6-7-11-20(19)24-22(27)18-12-14-25(15-13-18)21(26)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,24,27)
InChIKeyLSQRASFZUQNFFZ-UHFFFAOYSA-N
XLogP3.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45011956
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008687
N-(2-methoxyphenyl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 38645839
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate (CID 113008679) is ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is LSQRASFZUQNFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-2-29-23(28)19-10-6-7-11-20(19)24-22(27)18-12-14-25(15-13-18)21(26)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3,(H,24,27).
What are the key properties of ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate?
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 394.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 113008679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).