N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

C24H31N7O5 — CID 43832281

IUPACN-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C24H31N7O5/c1-35-17-4-5-20(36-2)18(14-17)28-21(32)15-19-23(34)25-8-9-31(19)22(33)16-29-10-12-30(13-11-29)24-26-6-3-7-27-24/h3-7,14,19H,8-13,15-16H2,1-2H3,(H,25,34)(H,28,32)
InChIKeyOJLNKKNSOAJUPE-UHFFFAOYSA-N
MW497.56 g/mol
LogP-0.03
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (PubChem CID 43832281) has the molecular formula C24H31N7O5 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
PubChem CID43832281
Molecular FormulaC24H31N7O5
Molecular Weight497.56 g/mol
Exact Mass497.24
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C24H31N7O5/c1-35-17-4-5-20(36-2)18(14-17)28-21(32)15-19-23(34)25-8-9-31(19)22(33)16-29-10-12-30(13-11-29)24-26-6-3-7-27-24/h3-7,14,19H,8-13,15-16H2,1-2H3,(H,25,34)(H,28,32)
InChIKeyOJLNKKNSOAJUPE-UHFFFAOYSA-N
XLogP-0.03
TPSA129.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(2R)-1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468523
2-[(2R)-1-[2-(4-benzylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 30468436
ethyl 4-[2-[(2S)-2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-oxopiperazin-1-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 30468443
2-[(2S)-1-[2-(4-benzhydrylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 94854661
N-(2-methoxyphenyl)-2-[(2R)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468207
N-(4-acetamidophenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 17039250
N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 30468187
N-(3-methylphenyl)-2-[(2S)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 41002644
N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 29111510
2-[(2S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 30468309
N-(2,4-dimethylphenyl)-2-[(2R)-1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 30468063
N-(2-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43854527

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide (CID 43832281) is N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is COc1ccc(OC)c(NC(=O)CC2C(=O)NCCN2C(=O)CN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
The InChIKey is OJLNKKNSOAJUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O5/c1-35-17-4-5-20(36-2)18(14-17)28-21(32)15-19-23(34)25-8-9-31(19)22(33)16-29-10-12-30(13-11-29)24-26-6-3-7-27-24/h3-7,14,19H,8-13,15-16H2,1-2H3,(H,25,34)(H,28,32).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide has a molecular weight of 497.56 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 43832281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).