2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide

C24H31FN4O2 — CID 8695674

IUPAC2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C24H31FN4O2/c1-18-4-5-20(19(2)14-18)15-27(3)17-24(31)29-12-10-28(11-13-29)16-23(30)26-22-8-6-21(25)7-9-22/h4-9,14H,10-13,15-17H2,1-3H3,(H,26,30)
InChIKeyPJFNLGPGCNNEIK-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.66
Rot. Bonds7

About 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide

2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 8695674) has the molecular formula C24H31FN4O2 and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID8695674
Molecular FormulaC24H31FN4O2
Molecular Weight426.54 g/mol
Exact Mass426.24
IUPAC Name2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(CN(C)CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)c1
InChIInChI=1S/C24H31FN4O2/c1-18-4-5-20(19(2)14-18)15-27(3)17-24(31)29-12-10-28(11-13-29)16-23(30)26-22-8-6-21(25)7-9-22/h4-9,14H,10-13,15-17H2,1-3H3,(H,26,30)
InChIKeyPJFNLGPGCNNEIK-UHFFFAOYSA-N
XLogP2.66
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 9045250
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-(4-fluorophenyl)-2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737327
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9045618
N-(4-fluorophenyl)-2-[4-(3-methylbenzoyl)piperazin-1-yl]acetamide
CID 27849975
2-[4-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9405198
2-[4-[2-(2,6-dimethylanilino)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 78822996
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 22194491
4-[[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]amino]benzamide
CID 9045380
2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9045319

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide (CID 8695674) is 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is Cc1ccc(CN(C)CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c(C)c1.
What is the InChIKey of 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is PJFNLGPGCNNEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2/c1-18-4-5-20(19(2)14-18)15-27(3)17-24(31)29-12-10-28(11-13-29)16-23(30)26-22-8-6-21(25)7-9-22/h4-9,14H,10-13,15-17H2,1-3H3,(H,26,30).
What are the key properties of 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 426.54 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2,4-dimethylphenyl)methyl-methylamino]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 8695674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).