1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine

C18H28N4O3 — CID 109405427

IUPAC1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine
SMILESCCN/C(=N\CCOCc1ccccc1OC)NC1CCC(=O)NC1
InChIInChI=1S/C18H28N4O3/c1-3-19-18(22-15-8-9-17(23)21-12-15)20-10-11-25-13-14-6-4-5-7-16(14)24-2/h4-7,15H,3,8-13H2,1-2H3,(H,21,23)(H2,19,20,22)
InChIKeySVADZCOUFANAAT-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.05
Rot. Bonds8

About 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine

1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine (PubChem CID 109405427) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine
PubChem CID109405427
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine
SMILESCCN/C(=N\CCOCc1ccccc1OC)NC1CCC(=O)NC1
InChIInChI=1S/C18H28N4O3/c1-3-19-18(22-15-8-9-17(23)21-12-15)20-10-11-25-13-14-6-4-5-7-16(14)24-2/h4-7,15H,3,8-13H2,1-2H3,(H,21,23)(H2,19,20,22)
InChIKeySVADZCOUFANAAT-UHFFFAOYSA-N
XLogP1.05
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400878
1-cyclopentyl-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109400891
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
CID 109405050
1-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine
CID 109405439
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine
CID 109405017
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 109405016
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]guanidine;hydroiodide
CID 109402305
1-ethyl-2-[3-(1H-indol-3-yl)propyl]-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111984624
1-ethyl-2-[(5-fluoro-2-methylsulfanylphenyl)methyl]-3-(6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119157037
1-ethyl-3-(6-oxopiperidin-3-yl)-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111992878
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-phenylmethoxyethyl)guanidine
CID 111964913
1,3-diethyl-2-[2-(2-methoxyphenyl)ethyl]guanidine
CID 110913748

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine?
The IUPAC name of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine (CID 109405427) is 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine is CCN/C(=N\CCOCc1ccccc1OC)NC1CCC(=O)NC1.
What is the InChIKey of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine?
The InChIKey is SVADZCOUFANAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-19-18(22-15-8-9-17(23)21-12-15)20-10-11-25-13-14-6-4-5-7-16(14)24-2/h4-7,15H,3,8-13H2,1-2H3,(H,21,23)(H2,19,20,22).
What are the key properties of 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine?
1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine has a molecular weight of 348.45 g/mol, XLogP of 1.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-[(2-methoxyphenyl)methoxy]ethyl]-3-(6-oxopiperidin-3-yl)guanidine is sourced from PubChem (CID 109405427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).