N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

C25H30ClN5O4 — CID 17036645

IUPACN-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)N2CCNC(=O)C2CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C25H30ClN5O4/c1-35-22-8-3-2-7-20(22)30-13-11-29(12-14-30)17-24(33)31-10-9-27-25(34)21(31)16-23(32)28-19-6-4-5-18(26)15-19/h2-8,15,21H,9-14,16-17H2,1H3,(H,27,34)(H,28,32)
InChIKeyFLUUPYPONWNGGZ-UHFFFAOYSA-N
MW500.00 g/mol
LogP1.83
Rot. Bonds7

About N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide

N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 17036645) has the molecular formula C25H30ClN5O4 and a molecular weight of 500.00 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID17036645
Molecular FormulaC25H30ClN5O4
Molecular Weight500.00 g/mol
Exact Mass499.20
IUPAC NameN-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)N2CCNC(=O)C2CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C25H30ClN5O4/c1-35-22-8-3-2-7-20(22)30-13-11-29(12-14-30)17-24(33)31-10-9-27-25(34)21(31)16-23(32)28-19-6-4-5-18(26)15-19/h2-8,15,21H,9-14,16-17H2,1H3,(H,27,34)(H,28,32)
InChIKeyFLUUPYPONWNGGZ-UHFFFAOYSA-N
XLogP1.83
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500500.00
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653794
N-(4-fluorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653809
N-(2-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43854527
2-[(2S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 30468309
2-[(2R)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 94859678
N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832355
N-(4-chlorophenyl)-2-[1-[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653801
N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 30468187
2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(3,4-dimethylphenyl)acetamide
CID 17036604
2-[(2S)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide
CID 28628872
2-[(2R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(3-methylphenyl)acetamide
CID 28628875
N-(2-methoxyphenyl)-2-[(2R)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468207

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide (CID 17036645) is N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is COc1ccccc1N1CCN(CC(=O)N2CCNC(=O)C2CC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is FLUUPYPONWNGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O4/c1-35-22-8-3-2-7-20(22)30-13-11-29(12-14-30)17-24(33)31-10-9-27-25(34)21(31)16-23(32)28-19-6-4-5-18(26)15-19/h2-8,15,21H,9-14,16-17H2,1H3,(H,27,34)(H,28,32).
What are the key properties of N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide?
N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 500.00 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 17036645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).