3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide

C15H19F2N3O2 — CID 76871490

IUPAC3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
SMILESCC1CCN(C(=O)CON=C(N)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H19F2N3O2/c1-10-4-6-20(7-5-10)14(21)9-22-19-15(18)11-2-3-12(16)13(17)8-11/h2-3,8,10H,4-7,9H2,1H3,(H2,18,19)
InChIKeyVILFBWWTBQVYKO-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.86
Rot. Bonds4

About 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide

3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide (PubChem CID 76871490) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
PubChem CID76871490
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
SMILESCC1CCN(C(=O)CON=C(N)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H19F2N3O2/c1-10-4-6-20(7-5-10)14(21)9-22-19-15(18)11-2-3-12(16)13(17)8-11/h2-3,8,10H,4-7,9H2,1H3,(H2,18,19)
InChIKeyVILFBWWTBQVYKO-UHFFFAOYSA-N
XLogP1.86
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 126804071
1-(3,4-difluorophenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 82122971
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
2-(2-chlorophenyl)-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]ethanimidamide
CID 47075143
4-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 18166061
N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-2-phenoxypyridine-3-carboximidamide
CID 60591153
2-[(Z)-[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 42942869
2-[[amino-(4-chlorophenyl)methylidene]amino]oxy-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 74675316
4-fluoro-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbenzoic acid
CID 80554904
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999990
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2370489
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-cyanobenzoate
CID 2380096

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide?
The IUPAC name of 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide (CID 76871490) is 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide.
What is the SMILES notation for 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide?
The canonical SMILES for 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide is CC1CCN(C(=O)CON=C(N)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide?
The InChIKey is VILFBWWTBQVYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-10-4-6-20(7-5-10)14(21)9-22-19-15(18)11-2-3-12(16)13(17)8-11/h2-3,8,10H,4-7,9H2,1H3,(H2,18,19).
What are the key properties of 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide?
3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide has a molecular weight of 311.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N'-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide is sourced from PubChem (CID 76871490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).