2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide

C15H21FN4O — CID 110919320

IUPAC2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide
SMILESCC1CCN(/C(N)=N/CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN4O/c1-11-6-8-20(9-7-11)15(17)18-10-14(21)19-13-4-2-12(16)3-5-13/h2-5,11H,6-10H2,1H3,(H2,17,18)(H,19,21)
InChIKeyGZECPRXQLLAVLN-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.81
Rot. Bonds3

About 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide

2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 110919320) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide
PubChem CID110919320
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide
SMILESCC1CCN(/C(N)=N/CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN4O/c1-11-6-8-20(9-7-11)15(17)18-10-14(21)19-13-4-2-12(16)3-5-13/h2-5,11H,6-10H2,1H3,(H2,17,18)(H,19,21)
InChIKeyGZECPRXQLLAVLN-UHFFFAOYSA-N
XLogP1.81
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

tert-butyl 4-[N'-[2-(4-fluoroanilino)-2-oxoethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111089332
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 110930365
4-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-chlorophenyl)butanamide;hydroiodide
CID 110920535
N'-[2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919526
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(cyanomethyl)acetamide
CID 120967432
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-prop-2-ynylacetamide
CID 110930318
N'-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110920341
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
N-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]acetamide
CID 2697800
N'-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methylpiperidine-1-carboximidamide
CID 110919904
2-[[amino(morpholin-4-yl)methylidene]amino]-N-(4-iodophenyl)acetamide;hydroiodide
CID 120913573
2-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-fluorophenyl)acetamide
CID 111089441

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide (CID 110919320) is 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide is CC1CCN(/C(N)=N/CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is GZECPRXQLLAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-11-6-8-20(9-7-11)15(17)18-10-14(21)19-13-4-2-12(16)3-5-13/h2-5,11H,6-10H2,1H3,(H2,17,18)(H,19,21).
What are the key properties of 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide?
2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 292.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(4-methylpiperidin-1-yl)methylidene]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110919320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).