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

C32H37N5O4 — CID 43832448

IUPAC2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CC1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H37N5O4/c1-41-28-15-9-8-14-26(28)34-29(38)22-27-32(40)33-16-17-37(27)30(39)23-35-18-20-36(21-19-35)31(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,27,31H,16-23H2,1H3,(H,33,40)(H,34,38)
InChIKeyAJCGAFXZNQLOGL-UHFFFAOYSA-N
MW555.68 g/mol
LogP2.76
Rot. Bonds9

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

2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 43832448) has the molecular formula C32H37N5O4 and a molecular weight of 555.68 g/mol. Its IUPAC name is 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID43832448
Molecular FormulaC32H37N5O4
Molecular Weight555.68 g/mol
Exact Mass555.28
IUPAC Name2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CC1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C32H37N5O4/c1-41-28-15-9-8-14-26(28)34-29(38)22-27-32(40)33-16-17-37(27)30(39)23-35-18-20-36(21-19-35)31(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,27,31H,16-23H2,1H3,(H,33,40)(H,34,38)
InChIKeyAJCGAFXZNQLOGL-UHFFFAOYSA-N
XLogP2.76
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.68
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-[(2S)-1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 94854661
N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 30468187
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-(3,5-dichlorophenyl)acetamide
CID 43854128
2-[(2R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 30468436
N-(2-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43854527
N-(2,5-dimethoxyphenyl)-2-[(2R)-1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468523
2-[1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methylphenyl)acetamide
CID 16653945
N-(2,4-dimethylphenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43832355
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide (CID 43832448) is 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CC1C(=O)NCCN1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is AJCGAFXZNQLOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4/c1-41-28-15-9-8-14-26(28)34-29(38)22-27-32(40)33-16-17-37(27)30(39)23-35-18-20-36(21-19-35)31(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-15,27,31H,16-23H2,1H3,(H,33,40)(H,34,38).
What are the key properties of 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide?
2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 555.68 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 43832448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).