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

C21H31FN4O3 — CID 24790449

IUPAC2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC1C(=O)NCCN1Cc1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C21H31FN4O3/c1-21(2,26-8-10-29-11-9-26)15-24-19(27)13-18-20(28)23-6-7-25(18)14-16-4-3-5-17(22)12-16/h3-5,12,18H,6-11,13-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyODGGHKMGBASCSN-UHFFFAOYSA-N
MW406.50 g/mol
LogP0.74
Rot. Bonds7

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

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 24790449) has the molecular formula C21H31FN4O3 and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID24790449
Molecular FormulaC21H31FN4O3
Molecular Weight406.50 g/mol
Exact Mass406.24
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC1C(=O)NCCN1Cc1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C21H31FN4O3/c1-21(2,26-8-10-29-11-9-26)15-24-19(27)13-18-20(28)23-6-7-25(18)14-16-4-3-5-17(22)12-16/h3-5,12,18H,6-11,13-15H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyODGGHKMGBASCSN-UHFFFAOYSA-N
XLogP0.74
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-(4-methylbenzyl)-N-(3-morpholin-4-ylpropyl)-5-oxoprolinamide
CID 3236574
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
(2R,5R)-1-acetyl-2-benzyl-5-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
CID 5459711
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 16188541
N-methyl-2-[1-(2-methylbenzyl)-3-oxo-2-piperazinyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24817644
N-(3-cyclopentylpropyl)-2-[1-(4-fluorobenzyl)-3-oxo-2-piperazinyl]-N-methylacetamide
CID 24817648

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 24790449) is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CC1C(=O)NCCN1Cc1cccc(F)c1)N1CCOCC1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is ODGGHKMGBASCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O3/c1-21(2,26-8-10-29-11-9-26)15-24-19(27)13-18-20(28)23-6-7-25(18)14-16-4-3-5-17(22)12-16/h3-5,12,18H,6-11,13-15H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 406.50 g/mol, XLogP of 0.74, 7 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-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 24790449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).