ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate

C18H25ClN2O4 — CID 108883477

IUPACethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NCCCOc2ccccc2Cl)C1
InChIInChI=1S/C18H25ClN2O4/c1-2-24-17(22)14-7-5-11-21(13-14)18(23)20-10-6-12-25-16-9-4-3-8-15(16)19/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,23)
InChIKeyWPIXTBWDRLZPNK-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.09
Rot. Bonds7

About ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate

ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate (PubChem CID 108883477) has the molecular formula C18H25ClN2O4 and a molecular weight of 368.86 g/mol. Its IUPAC name is ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
PubChem CID108883477
Molecular FormulaC18H25ClN2O4
Molecular Weight368.86 g/mol
Exact Mass368.15
IUPAC Nameethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)NCCCOc2ccccc2Cl)C1
InChIInChI=1S/C18H25ClN2O4/c1-2-24-17(22)14-7-5-11-21(13-14)18(23)20-10-6-12-25-16-9-4-3-8-15(16)19/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,23)
InChIKeyWPIXTBWDRLZPNK-UHFFFAOYSA-N
XLogP3.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate 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

N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
ethyl 1-[N'-methyl-N-[2-(2-methylphenoxy)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110995074
ethyl 1-[(3-chloro-4-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 3261941
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylate
CID 51944275
2-[2-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]ethoxy]acetic acid
CID 79463699
ethyl 1-[N-[3-(4-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110993602
ethyl 1-[N-[(2-chlorophenyl)methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110994023
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
4-[(3-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 107837748
ethyl 1-(2-phenylethylcarbamothioyl)piperidine-3-carboxylate
CID 3789651
ethyl (3R)-1-(2-phenylethylcarbamothioyl)piperidine-3-carboxylate
CID 939416
1-[2-(2-propan-2-ylphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001774

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate (CID 108883477) is ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)NCCCOc2ccccc2Cl)C1.
What is the InChIKey of ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate?
The InChIKey is WPIXTBWDRLZPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4/c1-2-24-17(22)14-7-5-11-21(13-14)18(23)20-10-6-12-25-16-9-4-3-8-15(16)19/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,20,23).
What are the key properties of ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate?
ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate has a molecular weight of 368.86 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate is sourced from PubChem (CID 108883477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).