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

C22H25N3O4 — CID 113008681

IUPACethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25N3O4/c1-2-29-21(27)18-10-6-7-11-19(18)24-20(26)16-12-14-25(15-13-16)22(28)23-17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,23,28)(H,24,26)
InChIKeyBCFSSGJYTIXDDP-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.75
Rot. Bonds5

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

ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate (PubChem CID 113008681) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
PubChem CID113008681
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C22H25N3O4/c1-2-29-21(27)18-10-6-7-11-19(18)24-20(26)16-12-14-25(15-13-16)22(28)23-17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,23,28)(H,24,26)
InChIKeyBCFSSGJYTIXDDP-UHFFFAOYSA-N
XLogP3.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
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
ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45011956
ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
CID 112989771
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471
ethyl 2-[[(1S,6R)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]amino]benzoate
CID 50952968
butyl 2-[(4-carbamoylpiperidine-1-carbonyl)amino]benzoate
CID 3838122
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)piperidine-1,4-dicarboxamide
CID 113008926
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate (CID 113008681) is ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate?
The InChIKey is BCFSSGJYTIXDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-2-29-21(27)18-10-6-7-11-19(18)24-20(26)16-12-14-25(15-13-16)22(28)23-17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,23,28)(H,24,26).
What are the key properties of ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate?
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate has a molecular weight of 395.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 113008681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).