ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate

C20H26ClN3O4 — CID 46947872

IUPACethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCC2)CC1
InChIInChI=1S/C20H26ClN3O4/c1-2-28-17(25)14-8-12-24(13-9-14)18(26)20(10-5-11-20)23-19(27)22-16-7-4-3-6-15(16)21/h3-4,6-7,14H,2,5,8-13H2,1H3,(H2,22,23,27)
InChIKeyWPLGHFGYLHUTMG-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.19
Rot. Bonds5

About ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate

ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate (PubChem CID 46947872) has the molecular formula C20H26ClN3O4 and a molecular weight of 407.90 g/mol. Its IUPAC name is ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate
PubChem CID46947872
Molecular FormulaC20H26ClN3O4
Molecular Weight407.90 g/mol
Exact Mass407.16
IUPAC Nameethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCC2)CC1
InChIInChI=1S/C20H26ClN3O4/c1-2-28-17(25)14-8-12-24(13-9-14)18(26)20(10-5-11-20)23-19(27)22-16-7-4-3-6-15(16)21/h3-4,6-7,14H,2,5,8-13H2,1H3,(H2,22,23,27)
InChIKeyWPLGHFGYLHUTMG-UHFFFAOYSA-N
XLogP3.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate 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 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate (CID 46947872) is ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCC2)CC1.
What is the InChIKey of ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate?
The InChIKey is WPLGHFGYLHUTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O4/c1-2-28-17(25)14-8-12-24(13-9-14)18(26)20(10-5-11-20)23-19(27)22-16-7-4-3-6-15(16)21/h3-4,6-7,14H,2,5,8-13H2,1H3,(H2,22,23,27).
What are the key properties of ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate?
ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate has a molecular weight of 407.90 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-[(2-chlorophenyl)carbamoylamino]cyclobutanecarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 46947872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).