1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine

C23H34N4O — CID 110054476

IUPAC1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine
SMILESCCC/N=C(\NCCc1ccco1)NC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C23H34N4O/c1-3-13-24-23(25-14-10-22-9-6-17-28-22)26-21-11-15-27(16-12-21)18-20-8-5-4-7-19(20)2/h4-9,17,21H,3,10-16,18H2,1-2H3,(H2,24,25,26)
InChIKeySTCUOTYEJUUGLJ-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.74
Rot. Bonds8

About 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine

1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine (PubChem CID 110054476) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine
PubChem CID110054476
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine
SMILESCCC/N=C(\NCCc1ccco1)NC1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C23H34N4O/c1-3-13-24-23(25-14-10-22-9-6-17-28-22)26-21-11-15-27(16-12-21)18-20-8-5-4-7-19(20)2/h4-9,17,21H,3,10-16,18H2,1-2H3,(H2,24,25,26)
InChIKeySTCUOTYEJUUGLJ-UHFFFAOYSA-N
XLogP3.74
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]guanidine;hydroiodide
CID 110054479
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]guanidine
CID 110054472
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110056465
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
CID 110054598
1-(1-benzylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110986955
2-benzyl-1-(1-benzylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110954221
1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110059677
1-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019156
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
CID 110055948
2-[4-[[N'-butyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide
CID 110054620
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110052473
2-[4-[[N'-butyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-methylacetamide;hydroiodide
CID 110054619

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine (CID 110054476) is 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine is CCC/N=C(\NCCc1ccco1)NC1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine?
The InChIKey is STCUOTYEJUUGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O/c1-3-13-24-23(25-14-10-22-9-6-17-28-22)26-21-11-15-27(16-12-21)18-20-8-5-4-7-19(20)2/h4-9,17,21H,3,10-16,18H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine?
1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine has a molecular weight of 382.55 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine is sourced from PubChem (CID 110054476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).