tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate

C20H28N2O5 — CID 110428314

IUPACtert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H28N2O5/c1-5-26-18(24)15-8-6-7-9-16(15)21-17(23)14-10-12-22(13-11-14)19(25)27-20(2,3)4/h6-9,14H,5,10-13H2,1-4H3,(H,21,23)
InChIKeyWVKWUEMGELQXQX-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.45
Rot. Bonds4

About tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 110428314) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
PubChem CID110428314
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C20H28N2O5/c1-5-26-18(24)15-8-6-7-9-16(15)21-17(23)14-10-12-22(13-11-14)19(25)27-20(2,3)4/h6-9,14H,5,10-13H2,1-4H3,(H,21,23)
InChIKeyWVKWUEMGELQXQX-UHFFFAOYSA-N
XLogP3.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
tert-butyl 4-[[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 56515888
ethyl 2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 17224095
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
ethyl 2-[[1-[(4-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45011956
ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008687
ethyl 4-[[2-(2-methylpropylcarbamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 34729529
tert-butyl 3-[(3-ethoxycarbonyl-5-phenylthiophen-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 171651463
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
tert-butyl 4-[[2-[4-(trifluoromethoxy)phenoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 15952444
tert-butyl 4-[[(2-bromobenzoyl)amino]carbamoyl]piperidine-1-carboxylate
CID 29264674

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate (CID 110428314) is tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate is CCOC(=O)c1ccccc1NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is WVKWUEMGELQXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-5-26-18(24)15-8-6-7-9-16(15)21-17(23)14-10-12-22(13-11-14)19(25)27-20(2,3)4/h6-9,14H,5,10-13H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 110428314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).