N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide

C22H28FN3O2 — CID 55973632

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide
SMILESCCN1CCN(c2ccccc2NC(=O)CCCOc2cccc(F)c2)CC1
InChIInChI=1S/C22H28FN3O2/c1-2-25-12-14-26(15-13-25)21-10-4-3-9-20(21)24-22(27)11-6-16-28-19-8-5-7-18(23)17-19/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,24,27)
InChIKeyXZYPOBYBEMPHLF-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.77
Rot. Bonds8

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide (PubChem CID 55973632) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide
PubChem CID55973632
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide
SMILESCCN1CCN(c2ccccc2NC(=O)CCCOc2cccc(F)c2)CC1
InChIInChI=1S/C22H28FN3O2/c1-2-25-12-14-26(15-13-25)21-10-4-3-9-20(21)24-22(27)11-6-16-28-19-8-5-7-18(23)17-19/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,24,27)
InChIKeyXZYPOBYBEMPHLF-UHFFFAOYSA-N
XLogP3.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55640232
4-(3-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]butanamide
CID 55973897
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide
CID 55965654
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
4-(4-methylphenoxy)-N-(2-morpholin-4-ylphenyl)butanamide
CID 7922267
N-(5-fluoro-2-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 113092711
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 91675894
N-[5-amino-2-(4-ethylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 91675878
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
4-(3-fluorophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 52717221

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide (CID 55973632) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide is CCN1CCN(c2ccccc2NC(=O)CCCOc2cccc(F)c2)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide?
The InChIKey is XZYPOBYBEMPHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-2-25-12-14-26(15-13-25)21-10-4-3-9-20(21)24-22(27)11-6-16-28-19-8-5-7-18(23)17-19/h3-5,7-10,17H,2,6,11-16H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide has a molecular weight of 385.48 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(3-fluorophenoxy)butanamide is sourced from PubChem (CID 55973632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).