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

C21H30F2N4O3 — CID 24790321

IUPAC2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC1C(=O)NCCN1Cc1cccc(F)c1F)N1CCOCC1
InChIInChI=1S/C21H30F2N4O3/c1-21(2,27-8-10-30-11-9-27)14-25-18(28)12-17-20(29)24-6-7-26(17)13-15-4-3-5-16(22)19(15)23/h3-5,17H,6-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyMVPRFECVIGNMMX-UHFFFAOYSA-N
MW424.49 g/mol
LogP0.88
Rot. Bonds7

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

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 24790321) has the molecular formula C21H30F2N4O3 and a molecular weight of 424.49 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID24790321
Molecular FormulaC21H30F2N4O3
Molecular Weight424.49 g/mol
Exact Mass424.23
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCC(C)(CNC(=O)CC1C(=O)NCCN1Cc1cccc(F)c1F)N1CCOCC1
InChIInChI=1S/C21H30F2N4O3/c1-21(2,27-8-10-30-11-9-27)14-25-18(28)12-17-20(29)24-6-7-26(17)13-15-4-3-5-16(22)19(15)23/h3-5,17H,6-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyMVPRFECVIGNMMX-UHFFFAOYSA-N
XLogP0.88
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N1-benzyl-N2-(3-morpholinopropyl)oxalamide
CID 2291099
2-[3-((S)-2-Morpholin-4-yl-acetylamino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10481845
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
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
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
2-[1-(3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[5-(4-morpholinyl)pentyl]acetamide
CID 24817844

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 24790321) is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CC(C)(CNC(=O)CC1C(=O)NCCN1Cc1cccc(F)c1F)N1CCOCC1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is MVPRFECVIGNMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2N4O3/c1-21(2,27-8-10-30-11-9-27)14-25-18(28)12-17-20(29)24-6-7-26(17)13-15-4-3-5-16(22)19(15)23/h3-5,17H,6-14H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 424.49 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 24790321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).