N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide

C18H24FN3OS — CID 973628

IUPACN-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide
SMILESO=C1CCCN1CCC1CCN(C(=S)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3OS/c19-15-3-5-16(6-4-15)20-18(24)22-12-8-14(9-13-22)7-11-21-10-1-2-17(21)23/h3-6,14H,1-2,7-13H2,(H,20,24)
InChIKeyWVMWCEFLNMCZOD-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.25
Rot. Bonds4

About N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide

N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide (PubChem CID 973628) has the molecular formula C18H24FN3OS and a molecular weight of 349.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide
PubChem CID973628
Molecular FormulaC18H24FN3OS
Molecular Weight349.47 g/mol
Exact Mass349.16
IUPAC NameN-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide
SMILESO=C1CCCN1CCC1CCN(C(=S)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3OS/c19-15-3-5-16(6-4-15)20-18(24)22-12-8-14(9-13-22)7-11-21-10-1-2-17(21)23/h3-6,14H,1-2,7-13H2,(H,20,24)
InChIKeyWVMWCEFLNMCZOD-UHFFFAOYSA-N
XLogP3.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide 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 N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide?
The IUPAC name of N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide (CID 973628) is N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide is O=C1CCCN1CCC1CCN(C(=S)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide?
The InChIKey is WVMWCEFLNMCZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3OS/c19-15-3-5-16(6-4-15)20-18(24)22-12-8-14(9-13-22)7-11-21-10-1-2-17(21)23/h3-6,14H,1-2,7-13H2,(H,20,24).
What are the key properties of N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide?
N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide has a molecular weight of 349.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carbothioamide is sourced from PubChem (CID 973628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).