3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide

C18H26FN3O2S — CID 48956064

IUPAC3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)NCCSCc2ccccc2F)C1
InChIInChI=1S/C18H26FN3O2S/c1-2-20-17(23)14-7-5-10-22(12-14)18(24)21-9-11-25-13-15-6-3-4-8-16(15)19/h3-4,6,8,14H,2,5,7,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyKGHVXCHZLKWAPH-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.62
Rot. Bonds7

About 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide

3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide (PubChem CID 48956064) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
PubChem CID48956064
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC Name3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CCCN(C(=O)NCCSCc2ccccc2F)C1
InChIInChI=1S/C18H26FN3O2S/c1-2-20-17(23)14-7-5-10-22(12-14)18(24)21-9-11-25-13-15-6-3-4-8-16(15)19/h3-4,6,8,14H,2,5,7,9-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyKGHVXCHZLKWAPH-UHFFFAOYSA-N
XLogP2.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide 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 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide (CID 48956064) is 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide is CCNC(=O)C1CCCN(C(=O)NCCSCc2ccccc2F)C1.
What is the InChIKey of 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is KGHVXCHZLKWAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c1-2-20-17(23)14-7-5-10-22(12-14)18(24)21-9-11-25-13-15-6-3-4-8-16(15)19/h3-4,6,8,14H,2,5,7,9-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide?
3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 48956064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).