1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine

C24H29FN4OS — CID 110054412

IUPAC1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
SMILESFc1ccc(CN2CCC(N/C(=N/Cc3cccs3)NCCc3ccco3)CC2)cc1
InChIInChI=1S/C24H29FN4OS/c25-20-7-5-19(6-8-20)18-29-13-10-21(11-14-29)28-24(27-17-23-4-2-16-31-23)26-12-9-22-3-1-15-30-22/h1-8,15-16,21H,9-14,17-18H2,(H2,26,27,28)
InChIKeyGEBWXGWETWOGTL-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.42
Rot. Bonds8

About 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 110054412) has the molecular formula C24H29FN4OS and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
PubChem CID110054412
Molecular FormulaC24H29FN4OS
Molecular Weight440.59 g/mol
Exact Mass440.20
IUPAC Name1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
SMILESFc1ccc(CN2CCC(N/C(=N/Cc3cccs3)NCCc3ccco3)CC2)cc1
InChIInChI=1S/C24H29FN4OS/c25-20-7-5-19(6-8-20)18-29-13-10-21(11-14-29)28-24(27-17-23-4-2-16-31-23)26-12-9-22-3-1-15-30-22/h1-8,15-16,21H,9-14,17-18H2,(H2,26,27,28)
InChIKeyGEBWXGWETWOGTL-UHFFFAOYSA-N
XLogP4.42
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine 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 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine (CID 110054412) is 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine is Fc1ccc(CN2CCC(N/C(=N/Cc3cccs3)NCCc3ccco3)CC2)cc1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is GEBWXGWETWOGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4OS/c25-20-7-5-19(6-8-20)18-29-13-10-21(11-14-29)28-24(27-17-23-4-2-16-31-23)26-12-9-22-3-1-15-30-22/h1-8,15-16,21H,9-14,17-18H2,(H2,26,27,28).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 440.59 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 110054412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).