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

C22H27FN4O2 — CID 9257290

IUPACN-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
SMILESCc1ccccc1CN1CCN(CC(=O)NCC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2/c1-17-4-2-3-5-18(17)15-26-10-12-27(13-11-26)16-22(29)24-14-21(28)25-20-8-6-19(23)7-9-20/h2-9H,10-16H2,1H3,(H,24,29)(H,25,28)
InChIKeyDSMPJTMQLRPQNJ-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.01
Rot. Bonds7

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

N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide (PubChem CID 9257290) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
PubChem CID9257290
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC NameN-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
SMILESCc1ccccc1CN1CCN(CC(=O)NCC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2/c1-17-4-2-3-5-18(17)15-26-10-12-27(13-11-26)16-22(29)24-14-21(28)25-20-8-6-19(23)7-9-20/h2-9H,10-16H2,1H3,(H,24,29)(H,25,28)
InChIKeyDSMPJTMQLRPQNJ-UHFFFAOYSA-N
XLogP2.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[4-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737327
2-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8582755
N-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]acetamide
CID 2697480
N-(4-fluorophenyl)-2-[[2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide
CID 8997571
N-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]acetamide
CID 2697800
ethyl 4-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]benzoate
CID 9257552
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 30723158
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 37384302
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9257577
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8688511

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide (CID 9257290) is N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide is Cc1ccccc1CN1CCN(CC(=O)NCC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide?
The InChIKey is DSMPJTMQLRPQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-17-4-2-3-5-18(17)15-26-10-12-27(13-11-26)16-22(29)24-14-21(28)25-20-8-6-19(23)7-9-20/h2-9H,10-16H2,1H3,(H,24,29)(H,25,28).
What are the key properties of N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide has a molecular weight of 398.48 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 9257290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).