N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide

C20H22FN3O2 — CID 5041262

IUPACN-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O2/c1-15(25)22-18-6-8-19(9-7-18)23-10-12-24(13-11-23)20(26)14-16-2-4-17(21)5-3-16/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyALBLNAMIEDBSRE-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.68
Rot. Bonds4

About N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide

N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 5041262) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
PubChem CID5041262
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN3O2/c1-15(25)22-18-6-8-19(9-7-18)23-10-12-24(13-11-23)20(26)14-16-2-4-17(21)5-3-16/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyALBLNAMIEDBSRE-UHFFFAOYSA-N
XLogP2.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.68
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-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 17459284
1-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-3-(4-methoxyphenyl)urea
CID 1056337
N-[4-[2-oxo-2-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethyl]phenyl]acetamide
CID 9255560
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
2-(4-fluorophenyl)-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 1057942
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
3-bromo-N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 42663751
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 42767021
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 113075520
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 112502808
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 56762711

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide (CID 5041262) is N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is ALBLNAMIEDBSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-15(25)22-18-6-8-19(9-7-18)23-10-12-24(13-11-23)20(26)14-16-2-4-17(21)5-3-16/h2-9H,10-14H2,1H3,(H,22,25).
What are the key properties of N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide?
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 355.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 5041262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).