N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide

C21H27N3O4 — CID 120753359

IUPACN-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCNCC2c2ccccc2OC)c1
InChIInChI=1S/C21H27N3O4/c1-26-15-8-9-20(28-3)17(12-15)23-21(25)14-24-11-10-22-13-18(24)16-6-4-5-7-19(16)27-2/h4-9,12,18,22H,10-11,13-14H2,1-3H3,(H,23,25)
InChIKeyDIDANUKTHINRKD-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.30
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 120753359) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID120753359
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2CCNCC2c2ccccc2OC)c1
InChIInChI=1S/C21H27N3O4/c1-26-15-8-9-20(28-3)17(12-15)23-21(25)14-24-11-10-22-13-18(24)16-6-4-5-7-19(16)27-2/h4-9,12,18,22H,10-11,13-14H2,1-3H3,(H,23,25)
InChIKeyDIDANUKTHINRKD-UHFFFAOYSA-N
XLogP2.30
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754096
N-(2-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120754125
N-(2-acetylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753523
N-(3,5-difluorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753312
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 120753156
N-(4-ethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754009
N-[4-(difluoromethoxy)phenyl]-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753715
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 120753930
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120754003
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 120753860
N-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 120753435
N-(4-ethylphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753308

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 120753359) is N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2CCNCC2c2ccccc2OC)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is DIDANUKTHINRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-26-15-8-9-20(28-3)17(12-15)23-21(25)14-24-11-10-22-13-18(24)16-6-4-5-7-19(16)27-2/h4-9,12,18,22H,10-11,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 385.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 120753359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).