ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate

C17H24N2O4 — CID 23276159

IUPACethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)OCCN2CCCCC2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-22-16(20)14-6-8-15(9-7-14)18-17(21)23-13-12-19-10-4-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,18,21)
InChIKeyVZYHUSBPUZIUFC-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.90
Rot. Bonds6

About ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate

ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate (PubChem CID 23276159) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
PubChem CID23276159
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)OCCN2CCCCC2)cc1
InChIInChI=1S/C17H24N2O4/c1-2-22-16(20)14-6-8-15(9-7-14)18-17(21)23-13-12-19-10-4-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,18,21)
InChIKeyVZYHUSBPUZIUFC-UHFFFAOYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)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

2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
CID 45048307
ethyl N-[4-(2-piperidin-1-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836577
ethyl 4-[2-(hydrazinecarbonyloxy)ethoxycarbonylamino]benzoate
CID 70810353
ethyl 4-(2-chloroethoxycarbonylamino)benzoate
CID 589550
2-piperidin-1-ylethyl N-(3-chloro-4-methylphenyl)carbamate;hydrochloride
CID 138398474
ethyl 4-[[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]acetyl]amino]benzoate
CID 5305807
ethyl 4-[3-(4-methylpiperazin-1-yl)propanoylamino]benzoate
CID 109017437
2-piperidin-1-ylethyl 4-fluorobenzoate
CID 755786
2-piperidin-1-ylethyl 4-bromobenzoate
CID 755742
ethyl 4-(2-piperidin-1-ylpropanoylamino)benzoate chloride
CID 53428809
ethyl 4-[3-(4-ethoxycarbonylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029191
2-pyrrolidin-1-ylethyl 4-aminobenzoate
CID 10243125

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate?
The IUPAC name of ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate (CID 23276159) is ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate.
What is the SMILES notation for ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate?
The canonical SMILES for ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate is CCOC(=O)c1ccc(NC(=O)OCCN2CCCCC2)cc1.
What is the InChIKey of ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate?
The InChIKey is VZYHUSBPUZIUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-22-16(20)14-6-8-15(9-7-14)18-17(21)23-13-12-19-10-4-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,18,21).
What are the key properties of ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate?
ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate has a molecular weight of 320.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-piperidin-1-ylethoxycarbonylamino)benzoate is sourced from PubChem (CID 23276159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).