N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

C26H32FN5O3 — CID 43832397

IUPACN-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C26H32FN5O3/c1-18-7-8-21(19(2)15-18)29-24(33)16-23-26(35)28-9-10-32(23)25(34)17-30-11-13-31(14-12-30)22-6-4-3-5-20(22)27/h3-8,15,23H,9-14,16-17H2,1-2H3,(H,28,35)(H,29,33)
InChIKeyOLKKEZKKRAQVRC-UHFFFAOYSA-N
MW481.57 g/mol
LogP1.92
Rot. Bonds6

About N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 43832397) has the molecular formula C26H32FN5O3 and a molecular weight of 481.57 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID43832397
Molecular FormulaC26H32FN5O3
Molecular Weight481.57 g/mol
Exact Mass481.25
IUPAC NameN-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
SMILESCc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)c(C)c1
InChIInChI=1S/C26H32FN5O3/c1-18-7-8-21(19(2)15-18)29-24(33)16-23-26(35)28-9-10-32(23)25(34)17-30-11-13-31(14-12-30)22-6-4-3-5-20(22)27/h3-8,15,23H,9-14,16-17H2,1-2H3,(H,28,35)(H,29,33)
InChIKeyOLKKEZKKRAQVRC-UHFFFAOYSA-N
XLogP1.92
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832355
N-(2,4-dimethylphenyl)-2-[1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832372
N-(2,4-dimethylphenyl)-2-[3-oxo-1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 43832398
2-[(2S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 30468129
N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468063
N-(4-chlorophenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653801
N-(2,4-dimethylphenyl)-2-[(2S)-1-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468051
2-[1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 43832374
2-[1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methylphenyl)acetamide
CID 16653945
N-(2-methylphenyl)-2-[(2S)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
CID 29104463
N-(4-fluorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653809
2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 29104282

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (CID 43832397) is N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is Cc1ccc(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ccccc3F)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is OLKKEZKKRAQVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O3/c1-18-7-8-21(19(2)15-18)29-24(33)16-23-26(35)28-9-10-32(23)25(34)17-30-11-13-31(14-12-30)22-6-4-3-5-20(22)27/h3-8,15,23H,9-14,16-17H2,1-2H3,(H,28,35)(H,29,33).
What are the key properties of N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 481.57 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 43832397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).