2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide

C22H33FN4O3 — CID 24817844

IUPAC2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NCCCCCN1CCOCC1
InChIInChI=1S/C22H33FN4O3/c23-19-6-4-5-18(15-19)17-27-10-8-25-22(29)20(27)16-21(28)24-7-2-1-3-9-26-11-13-30-14-12-26/h4-6,15,20H,1-3,7-14,16-17H2,(H,24,28)(H,25,29)
InChIKeyVAEHWVYETIOGIZ-UHFFFAOYSA-N
MW420.53 g/mol
LogP1.13
Rot. Bonds10

About 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide (PubChem CID 24817844) has the molecular formula C22H33FN4O3 and a molecular weight of 420.53 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide
PubChem CID24817844
Molecular FormulaC22H33FN4O3
Molecular Weight420.53 g/mol
Exact Mass420.25
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide
SMILESO=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NCCCCCN1CCOCC1
InChIInChI=1S/C22H33FN4O3/c23-19-6-4-5-18(15-19)17-27-10-8-25-22(29)20(27)16-21(28)24-7-2-1-3-9-26-11-13-30-14-12-26/h4-6,15,20H,1-3,7-14,16-17H2,(H,24,28)(H,25,29)
InChIKeyVAEHWVYETIOGIZ-UHFFFAOYSA-N
XLogP1.13
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
1-[2-[(2R,5R)-2-[[(3R,5R)-3,5-dimethylmorpholin-4-yl]methyl]-5-methylpiperazin-1-yl]acetyl]-6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[2,3-c]pyridin-5-one
CID 126502421
N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
2-[1-(4-fluorobenzyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190619
N-cyclobutyl-2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24817458
9-Benzyl-1-butyl-3-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecane-2,5-dione;hydrochloride
CID 10159217
(R)-4-((R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl)-3-(morpholinomethyl)piperazin-2-one
CID 25056005
Bn-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 162654297
N-cyclohexyl-2-morpholin-4-yl-2-phenylacetamide
CID 3240341
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 4069380
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 16192263
2-({Cyclohexyl[(2-fluorophenyl)methyl]carbamothioyl}amino)-N-[3-(morpholin-4-YL)propyl]acetamide
CID 16193382

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide (CID 24817844) is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide is O=C(CC1C(=O)NCCN1Cc1cccc(F)c1)NCCCCCN1CCOCC1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide?
The InChIKey is VAEHWVYETIOGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O3/c23-19-6-4-5-18(15-19)17-27-10-8-25-22(29)20(27)16-21(28)24-7-2-1-3-9-26-11-13-30-14-12-26/h4-6,15,20H,1-3,7-14,16-17H2,(H,24,28)(H,25,29).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide?
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide has a molecular weight of 420.53 g/mol, XLogP of 1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(5-morpholin-4-ylpentyl)acetamide is sourced from PubChem (CID 24817844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).