N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide

C23H28FN3O2 — CID 113062385

IUPACN-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-18(28)27(16-13-25-23(29)17-19-5-7-20(24)8-6-19)22-11-9-21(10-12-22)26-14-3-2-4-15-26/h5-12H,2-4,13-17H2,1H3,(H,25,29)
InChIKeyFGWYVOMTEMJGOR-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 113062385) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID113062385
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-18(28)27(16-13-25-23(29)17-19-5-7-20(24)8-6-19)22-11-9-21(10-12-22)26-14-3-2-4-15-26/h5-12H,2-4,13-17H2,1H3,(H,25,29)
InChIKeyFGWYVOMTEMJGOR-UHFFFAOYSA-N
XLogP3.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060664
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062387
2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 142976560
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]-2-phenoxyacetamide
CID 113062329
3-(N-acetyl-4-pyrrolidin-1-ylanilino)propanoic acid
CID 82320452
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334
2-(4-fluorophenyl)-N-heptyl-N-(4-piperidin-1-ylphenyl)acetamide;N-hydroxyformamide
CID 142976559
N-[2-(N-acetyl-4-fluoroanilino)ethyl]acetamide
CID 113059276
3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
CID 113132055

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide (CID 113062385) is N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is FGWYVOMTEMJGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-18(28)27(16-13-25-23(29)17-19-5-7-20(24)8-6-19)22-11-9-21(10-12-22)26-14-3-2-4-15-26/h5-12H,2-4,13-17H2,1H3,(H,25,29).
What are the key properties of N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 397.49 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 113062385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).