N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide

C27H27FN4O2 — CID 39052113

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H27FN4O2/c28-20-9-11-21(12-10-20)31-17-15-30(16-18-31)14-13-29-26(33)19-32-24-7-3-1-5-22(24)27(34)23-6-2-4-8-25(23)32/h1-12H,13-19H2,(H,29,33)
InChIKeyBEYOZPZYWUTQMS-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.23
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 39052113) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID39052113
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESO=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H27FN4O2/c28-20-9-11-21(12-10-20)31-17-15-30(16-18-31)14-13-29-26(33)19-32-24-7-3-1-5-22(24)27(34)23-6-2-4-8-25(23)32/h1-12H,13-19H2,(H,29,33)
InChIKeyBEYOZPZYWUTQMS-UHFFFAOYSA-N
XLogP3.23
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(9-oxoacridin-10-yl)acetamide
CID 39303950
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268601
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 42266574
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide
CID 55657670
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(methylamino)butanamide
CID 119902194
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-fluorophenyl)acetamide
CID 42266990
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 119947503

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 39052113) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide is O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is BEYOZPZYWUTQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c28-20-9-11-21(12-10-20)31-17-15-30(16-18-31)14-13-29-26(33)19-32-24-7-3-1-5-22(24)27(34)23-6-2-4-8-25(23)32/h1-12H,13-19H2,(H,29,33).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 458.54 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 39052113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).