N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide

C23H28FN3O2 — CID 113125379

IUPACN-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCCc1ccc(N(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C(C)=O)cc1
InChIInChI=1S/C23H28FN3O2/c1-3-19-4-8-22(9-5-19)27(18(2)28)13-12-23(29)26-16-14-25(15-17-26)21-10-6-20(24)7-11-21/h4-11H,3,12-17H2,1-2H3
InChIKeyWIFOMYRQWZUJFY-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.48
Rot. Bonds6

About N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide

N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 113125379) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID113125379
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCCc1ccc(N(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C(C)=O)cc1
InChIInChI=1S/C23H28FN3O2/c1-3-19-4-8-22(9-5-19)27(18(2)28)13-12-23(29)26-16-14-25(15-17-26)21-10-6-20(24)7-11-21/h4-11H,3,12-17H2,1-2H3
InChIKeyWIFOMYRQWZUJFY-UHFFFAOYSA-N
XLogP3.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113135063
N-(4-ethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113125340
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
ethyl 4-[3-(N-acetyl-4-ethylanilino)propanoyl]piperazine-1-carboxylate
CID 113125387
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
N-(2-cyanophenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113134705
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-N-(4-propan-2-ylphenyl)acetamide
CID 113125862
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
N-(3,4-difluorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113135507

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide (CID 113125379) is N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide is CCc1ccc(N(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C(C)=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is WIFOMYRQWZUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-3-19-4-8-22(9-5-19)27(18(2)28)13-12-23(29)26-16-14-25(15-17-26)21-10-6-20(24)7-11-21/h4-11H,3,12-17H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 397.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 113125379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).