2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

C23H35FN4O3 — CID 55648984

IUPAC2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C23H35FN4O3/c1-18(2)15-27-11-12-31-21(16-27)14-25-22(29)17-26-7-9-28(10-8-26)23(30)13-19-3-5-20(24)6-4-19/h3-6,18,21H,7-17H2,1-2H3,(H,25,29)
InChIKeyZSKHTGVUPKVXFR-UHFFFAOYSA-N
MW434.56 g/mol
LogP0.99
Rot. Bonds8

About 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 55648984) has the molecular formula C23H35FN4O3 and a molecular weight of 434.56 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID55648984
Molecular FormulaC23H35FN4O3
Molecular Weight434.56 g/mol
Exact Mass434.27
IUPAC Name2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)C1
InChIInChI=1S/C23H35FN4O3/c1-18(2)15-27-11-12-31-21(16-27)14-25-22(29)17-26-7-9-28(10-8-26)23(30)13-19-3-5-20(24)6-4-19/h3-6,18,21H,7-17H2,1-2H3,(H,25,29)
InChIKeyZSKHTGVUPKVXFR-UHFFFAOYSA-N
XLogP0.99
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
3-(4-tert-butylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35363430
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 55409622
3-(1,3-benzodioxol-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 30538476
N-(4-fluorophenyl)-2-[[N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]acetamide
CID 111368761
N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]-2-(4-fluorophenyl)acetamide;hydroiodide
CID 111369790
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
4-(3,4-dimethylphenyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-4-oxobutanamide
CID 30538416
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119903899
2-methyl-N-[1-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 55849752
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55402241

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 55648984) is 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is CC(C)CN1CCOC(CNC(=O)CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)C1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is ZSKHTGVUPKVXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN4O3/c1-18(2)15-27-11-12-31-21(16-27)14-25-22(29)17-26-7-9-28(10-8-26)23(30)13-19-3-5-20(24)6-4-19/h3-6,18,21H,7-17H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 434.56 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 55648984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).