3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide

C15H18FN3O3 — CID 108944941

IUPAC3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
SMILESCC(=O)N1CCN(C(=O)CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN3O3/c1-11(20)18-6-8-19(9-7-18)15(22)10-14(21)17-13-4-2-12(16)3-5-13/h2-5H,6-10H2,1H3,(H,17,21)
InChIKeyDMXNUXWBZXSBQJ-UHFFFAOYSA-N
MW307.32 g/mol
LogP0.85
Rot. Bonds3

About 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide

3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide (PubChem CID 108944941) has the molecular formula C15H18FN3O3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
PubChem CID108944941
Molecular FormulaC15H18FN3O3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
SMILESCC(=O)N1CCN(C(=O)CC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C15H18FN3O3/c1-11(20)18-6-8-19(9-7-18)15(22)10-14(21)17-13-4-2-12(16)3-5-13/h2-5H,6-10H2,1H3,(H,17,21)
InChIKeyDMXNUXWBZXSBQJ-UHFFFAOYSA-N
XLogP0.85
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944957
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
N-(4-fluorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952329
3-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)-3-oxopropanamide
CID 108945020
N-(4-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108949553
ethyl 4-[3-(4-acetamidoanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108950364
2-[(4-acetylpiperazin-1-yl)methyl]-4-(4-fluoroanilino)-4-oxobutanoic acid
CID 52996954
(2R)-2-[(4-acetylpiperazin-1-yl)methyl]-4-(4-fluoroanilino)-4-oxobutanoic acid
CID 52902827
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 110673105
N-[4-(4-acetylpiperazin-1-yl)phenyl]-4-(4-fluorophenyl)butanamide
CID 110406316
2-[[4-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 39080492

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide (CID 108944941) is 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide is CC(=O)N1CCN(C(=O)CC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide?
The InChIKey is DMXNUXWBZXSBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-11(20)18-6-8-19(9-7-18)15(22)10-14(21)17-13-4-2-12(16)3-5-13/h2-5H,6-10H2,1H3,(H,17,21).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide?
3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide has a molecular weight of 307.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide is sourced from PubChem (CID 108944941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).