1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine

C19H28N4OS — CID 111665918

IUPAC1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC1CCCN(C)C1c1cccs1
InChIInChI=1S/C19H28N4OS/c1-3-20-19(22-14-16-8-5-11-24-16)21-13-15-7-4-10-23(2)18(15)17-9-6-12-25-17/h5-6,8-9,11-12,15,18H,3-4,7,10,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyWNZTZNKXAJVTAN-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.48
Rot. Bonds6

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

1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine (PubChem CID 111665918) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is 1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
PubChem CID111665918
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccco1)NCC1CCCN(C)C1c1cccs1
InChIInChI=1S/C19H28N4OS/c1-3-20-19(22-14-16-8-5-11-24-16)21-13-15-7-4-10-23(2)18(15)17-9-6-12-25-17/h5-6,8-9,11-12,15,18H,3-4,7,10,13-14H2,1-2H3,(H2,20,21,22)
InChIKeyWNZTZNKXAJVTAN-UHFFFAOYSA-N
XLogP3.48
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.48
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'}

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Related Compounds

1-ethyl-2-[(5-methylthiophen-2-yl)methyl]-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666269
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111665895
2-[(4-cyanophenyl)methyl]-1-ethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666705
1-ethyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111666141
1,3-diethyl-2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111464905
1-ethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 109419804
1-ethyl-2-[(1-ethylpiperidin-3-yl)methyl]-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666736
1-ethyl-2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666323
1-ethyl-2-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111987185
1-butyl-3-ethyl-2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666645
1-ethyl-2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-prop-2-enylguanidine
CID 111666042
1-[(2-tert-butyloxan-3-yl)methyl]-3-ethyl-2-(furan-2-ylmethyl)guanidine
CID 111624294

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine (CID 111665918) is 1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine is CCN/C(=N\Cc1ccco1)NCC1CCCN(C)C1c1cccs1.
What is the InChIKey of 1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine?
The InChIKey is WNZTZNKXAJVTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-3-20-19(22-14-16-8-5-11-24-16)21-13-15-7-4-10-23(2)18(15)17-9-6-12-25-17/h5-6,8-9,11-12,15,18H,3-4,7,10,13-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine?
1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine has a molecular weight of 360.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(furan-2-ylmethyl)-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine is sourced from PubChem (CID 111665918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).