N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

C25H31N5O4 — CID 30468187

IUPACN-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
SMILESCOc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H31N5O4/c1-34-22-10-6-5-9-20(22)27-23(31)17-21-25(33)26-11-12-30(21)24(32)18-28-13-15-29(16-14-28)19-7-3-2-4-8-19/h2-10,21H,11-18H2,1H3,(H,26,33)(H,27,31)/t21-/m0/s1
InChIKeyCLZKXBZBKRTOGG-NRFANRHFSA-N
MW465.55 g/mol
LogP1.17
Rot. Bonds7

About N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (PubChem CID 30468187) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
PubChem CID30468187
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC NameN-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
SMILESCOc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H31N5O4/c1-34-22-10-6-5-9-20(22)27-23(31)17-21-25(33)26-11-12-30(21)24(32)18-28-13-15-29(16-14-28)19-7-3-2-4-8-19/h2-10,21H,11-18H2,1H3,(H,26,33)(H,27,31)/t21-/m0/s1
InChIKeyCLZKXBZBKRTOGG-NRFANRHFSA-N
XLogP1.17
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[(2R)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468207
2-[(2S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 30468309
2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 43832448
N-(2-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43854527
N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 16653835
2-[(2R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 30468436
N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832355
2-[1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2-ethylphenyl)acetamide
CID 43854117
N-(4-fluorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 16653809
N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 43832281
2-[(2R)-1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-phenoxyphenyl)acetamide
CID 94859678
N-(2,5-dimethoxyphenyl)-2-[(2R)-1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468523

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (CID 30468187) is N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is COc1ccccc1NC(=O)C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The InChIKey is CLZKXBZBKRTOGG-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-34-22-10-6-5-9-20(22)27-23(31)17-21-25(33)26-11-12-30(21)24(32)18-28-13-15-29(16-14-28)19-7-3-2-4-8-19/h2-10,21H,11-18H2,1H3,(H,26,33)(H,27,31)/t21-/m0/s1.
What are the key properties of N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide has a molecular weight of 465.55 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 30468187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).