1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine

C17H23FN4O2 — CID 111500485

IUPAC1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc(F)cc1)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C17H23FN4O2/c1-19-17(20-10-9-13-5-7-14(18)8-6-13)21-11-12-22-15(23)3-2-4-16(22)24/h5-8H,2-4,9-12H2,1H3,(H2,19,20,21)
InChIKeyCDAIYHXKZWYBJP-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.07
Rot. Bonds6

About 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine

1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine (PubChem CID 111500485) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
PubChem CID111500485
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC Name1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc(F)cc1)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C17H23FN4O2/c1-19-17(20-10-9-13-5-7-14(18)8-6-13)21-11-12-22-15(23)3-2-4-16(22)24/h5-8H,2-4,9-12H2,1H3,(H2,19,20,21)
InChIKeyCDAIYHXKZWYBJP-UHFFFAOYSA-N
XLogP1.07
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.07
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111501569
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-ethyl-2-[2-(4-fluorophenyl)ethyl]guanidine
CID 111500491
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111500338
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111501766
1-[2-(4-fluorophenyl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111228815
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111499832
1-[3-(azepan-1-yl)propyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111228860
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 111229104
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111230424
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111229382
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111230461
1-(2-cyclopropylethyl)-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111604568

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine (CID 111500485) is 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine is C/N=C(\NCCc1ccc(F)cc1)NCCN1C(=O)CCCC1=O.
What is the InChIKey of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine?
The InChIKey is CDAIYHXKZWYBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-19-17(20-10-9-13-5-7-14(18)8-6-13)21-11-12-22-15(23)3-2-4-16(22)24/h5-8H,2-4,9-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine?
1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine has a molecular weight of 334.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dioxopiperidin-1-yl)ethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine is sourced from PubChem (CID 111500485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).