ethyl 4-(piperidine-1-carbonylamino)benzoate

C15H20N2O3 — CID 2930438

IUPACethyl 4-(piperidine-1-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(18)12-6-8-13(9-7-12)16-15(19)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H,16,19)
InChIKeyUQPOIOGRAUSTEG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.88
Rot. Bonds3

About ethyl 4-(piperidine-1-carbonylamino)benzoate

ethyl 4-(piperidine-1-carbonylamino)benzoate (PubChem CID 2930438) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 4-(piperidine-1-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(piperidine-1-carbonylamino)benzoate
PubChem CID2930438
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 4-(piperidine-1-carbonylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-20-14(18)12-6-8-13(9-7-12)16-15(19)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H,16,19)
InChIKeyUQPOIOGRAUSTEG-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(piperidine-1-carbonylamino)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(piperidine-1-carbonylamino)benzoate?
The IUPAC name of ethyl 4-(piperidine-1-carbonylamino)benzoate (CID 2930438) is ethyl 4-(piperidine-1-carbonylamino)benzoate.
What is the SMILES notation for ethyl 4-(piperidine-1-carbonylamino)benzoate?
The canonical SMILES for ethyl 4-(piperidine-1-carbonylamino)benzoate is CCOC(=O)c1ccc(NC(=O)N2CCCCC2)cc1.
What is the InChIKey of ethyl 4-(piperidine-1-carbonylamino)benzoate?
The InChIKey is UQPOIOGRAUSTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-20-14(18)12-6-8-13(9-7-12)16-15(19)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H,16,19).
What are the key properties of ethyl 4-(piperidine-1-carbonylamino)benzoate?
ethyl 4-(piperidine-1-carbonylamino)benzoate has a molecular weight of 276.34 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(piperidine-1-carbonylamino)benzoate is sourced from PubChem (CID 2930438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).