1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine

C23H32N4O3 — CID 111862219

IUPAC1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(=N/CC(=O)N2CCCCC2)NCCc2ccco2)cc1
InChIInChI=1S/C23H32N4O3/c1-18(2)30-21-10-8-19(9-11-21)26-23(24-13-12-20-7-6-16-29-20)25-17-22(28)27-14-4-3-5-15-27/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H2,24,25,26)
InChIKeyCGTFYMUHKIJDJW-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.68
Rot. Bonds8

About 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine

1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine (PubChem CID 111862219) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine
PubChem CID111862219
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine
SMILESCC(C)Oc1ccc(N/C(=N/CC(=O)N2CCCCC2)NCCc2ccco2)cc1
InChIInChI=1S/C23H32N4O3/c1-18(2)30-21-10-8-19(9-11-21)26-23(24-13-12-20-7-6-16-29-20)25-17-22(28)27-14-4-3-5-15-27/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H2,24,25,26)
InChIKeyCGTFYMUHKIJDJW-UHFFFAOYSA-N
XLogP3.68
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.68
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

2-[[[2-(furan-2-yl)ethylamino]-(4-propan-2-yloxyanilino)methylidene]amino]-N-propylacetamide
CID 111862149
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111668725
1-[3-(2-methoxyethoxy)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 111871997
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111751321
1-[2-(furan-2-yl)ethyl]-2-(4-morpholin-4-ylbutyl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 111862304
1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrrolidin-3-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111862241
1-[2-(furan-2-yl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-3-(4-propan-2-yloxyphenyl)guanidine
CID 111862109
1-[2-(furan-2-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)pentyl]-3-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111862389
1-[2-(furan-2-yl)ethyl]-2-[(1-methylpyrazol-4-yl)methyl]-3-(4-propan-2-yloxyphenyl)guanidine
CID 111862031
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)guanidine
CID 111040300
3-[[[[2-(furan-2-yl)ethylamino]-(4-propan-2-yloxyanilino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111862235
N-tert-butyl-2-[[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide
CID 111866846

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine (CID 111862219) is 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine is CC(C)Oc1ccc(N/C(=N/CC(=O)N2CCCCC2)NCCc2ccco2)cc1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine?
The InChIKey is CGTFYMUHKIJDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-18(2)30-21-10-8-19(9-11-21)26-23(24-13-12-20-7-6-16-29-20)25-17-22(28)27-14-4-3-5-15-27/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine?
1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine has a molecular weight of 412.53 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-(2-oxo-2-piperidin-1-ylethyl)-3-(4-propan-2-yloxyphenyl)guanidine is sourced from PubChem (CID 111862219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).