1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C22H39N5O2 — CID 111305053

IUPAC1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H39N5O2/c1-4-23-21(25-18-22(2,3)27-12-15-28-16-13-27)24-17-19(20-9-8-14-29-20)26-10-6-5-7-11-26/h8-9,14,19H,4-7,10-13,15-18H2,1-3H3,(H2,23,24,25)
InChIKeyXYQAFWRTYLTBFE-UHFFFAOYSA-N
MW405.59 g/mol
LogP2.47
Rot. Bonds8

About 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 111305053) has the molecular formula C22H39N5O2 and a molecular weight of 405.59 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID111305053
Molecular FormulaC22H39N5O2
Molecular Weight405.59 g/mol
Exact Mass405.31
IUPAC Name1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H39N5O2/c1-4-23-21(25-18-22(2,3)27-12-15-28-16-13-27)24-17-19(20-9-8-14-29-20)26-10-6-5-7-11-26/h8-9,14,19H,4-7,10-13,15-18H2,1-3H3,(H2,23,24,25)
InChIKeyXYQAFWRTYLTBFE-UHFFFAOYSA-N
XLogP2.47
TPSA65.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111007155
3-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2,2-dimethylpropanamide
CID 111008887
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284840
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine;hydroiodide
CID 111663282
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111006911
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257443
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111312707
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-propylacetamide
CID 111304741
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966292
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111305090
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320348

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 111305053) is 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)(C)N1CCOCC1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is XYQAFWRTYLTBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5O2/c1-4-23-21(25-18-22(2,3)27-12-15-28-16-13-27)24-17-19(20-9-8-14-29-20)26-10-6-5-7-11-26/h8-9,14,19H,4-7,10-13,15-18H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 405.59 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111305053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).