N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide

C22H26FN3O2 — CID 113161797

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(C)cc1
InChIInChI=1S/C22H26FN3O2/c1-17-3-5-19(6-4-17)15-26(18(2)27)16-22(28)25-13-11-24(12-14-25)21-9-7-20(23)8-10-21/h3-10H,11-16H2,1-2H3
InChIKeyMMAOTSKLZGVRNL-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.83
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 113161797) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID113161797
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(C)cc1
InChIInChI=1S/C22H26FN3O2/c1-17-3-5-19(6-4-17)15-26(18(2)27)16-22(28)25-13-11-24(12-14-25)21-9-7-20(23)8-10-21/h3-10H,11-16H2,1-2H3
InChIKeyMMAOTSKLZGVRNL-UHFFFAOYSA-N
XLogP2.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113162333
2-[(4-bromophenyl)methyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 32516891
N-[(2-fluorophenyl)methyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113162185
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(4-methylphenyl)methylsulfanyl]propan-1-one
CID 4086403
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 1121259
N-[(3,4-dichlorophenyl)methyl]-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 1018625
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 113163244
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfonylethanone
CID 6459911
4-[4-[[2-[cyclopentanecarbonyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42677240
1-[4-[4-[2-(4-methylphenyl)ethyl]phenyl]piperazin-1-yl]ethanone
CID 59546040
2-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 42676775

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide (CID 113161797) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide is CC(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(C)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is MMAOTSKLZGVRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-17-3-5-19(6-4-17)15-26(18(2)27)16-22(28)25-13-11-24(12-14-25)21-9-7-20(23)8-10-21/h3-10H,11-16H2,1-2H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 383.47 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113161797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).