N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide

C17H25FN4O2 — CID 1489357

IUPACN-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESCN1CCN(c2ccc(NC(=O)CN3CCOCC3)cc2F)CC1
InChIInChI=1S/C17H25FN4O2/c1-20-4-6-22(7-5-20)16-3-2-14(12-15(16)18)19-17(23)13-21-8-10-24-11-9-21/h2-3,12H,4-11,13H2,1H3,(H,19,23)
InChIKeyIMMSSIZZOGTYAP-UHFFFAOYSA-N
MW336.41 g/mol
LogP0.85
Rot. Bonds4

About N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide

N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 1489357) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID1489357
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC NameN-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESCN1CCN(c2ccc(NC(=O)CN3CCOCC3)cc2F)CC1
InChIInChI=1S/C17H25FN4O2/c1-20-4-6-22(7-5-20)16-3-2-14(12-15(16)18)19-17(23)13-21-8-10-24-11-9-21/h2-3,12H,4-11,13H2,1H3,(H,19,23)
InChIKeyIMMSSIZZOGTYAP-UHFFFAOYSA-N
XLogP0.85
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-Morpholineacetamide, N-phenyl-
CID 201328
N-(4-Amino-phenyl)-3-morpholin-4-yl-propionamide
CID 844901
Ethyl 4-(2-((4-fluorophenyl)amino)-2-oxoethyl)piperazine-1-carboxylate
CID 931206
N-(3-Amino-phenyl)-2-morpholin-4-yl-acetamide
CID 1073123
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
CID 1832909
Piperamide
CID 14739
N-(4-fluorophenyl)-2-morpholinoacetamide
CID 670650
N-[4-(4-morpholinylazo)phenyl]acetamide
CID 799944
2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 973770
Ethyl 4-[2-(3,4-difluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2441116
1-[2-(2-Morpholinoanilino)-2-oxoethyl]-4-piperidinecarboxamide
CID 2813874
3-(2,6-dimethyl-4-morpholinyl)-N-(2-fluorophenyl)propanamide
CID 2901892

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide (CID 1489357) is N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide is CN1CCN(c2ccc(NC(=O)CN3CCOCC3)cc2F)CC1.
What is the InChIKey of N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is IMMSSIZZOGTYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-20-4-6-22(7-5-20)16-3-2-14(12-15(16)18)19-17(23)13-21-8-10-24-11-9-21/h2-3,12H,4-11,13H2,1H3,(H,19,23).
What are the key properties of N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 336.41 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 1489357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).