N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C22H29N3O4 — CID 9130137

IUPACN-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3ccc(OC)cc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-27-18-6-4-17(5-7-18)15-24-10-12-25(13-11-24)16-22(26)23-20-9-8-19(28-2)14-21(20)29-3/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)
InChIKeyDBUFMOLFWZEPTD-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.47
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 9130137) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID9130137
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)Nc3ccc(OC)cc3OC)CC2)cc1
InChIInChI=1S/C22H29N3O4/c1-27-18-6-4-17(5-7-18)15-24-10-12-25(13-11-24)16-22(26)23-20-9-8-19(28-2)14-21(20)29-3/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)
InChIKeyDBUFMOLFWZEPTD-UHFFFAOYSA-N
XLogP2.47
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130053
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
CID 30721755
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 37445813
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
N-(2,5-dimethoxyphenyl)-2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6469646
2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2978109

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 9130137) is N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(CN2CCN(CC(=O)Nc3ccc(OC)cc3OC)CC2)cc1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is DBUFMOLFWZEPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-18-6-4-17(5-7-18)15-24-10-12-25(13-11-24)16-22(26)23-20-9-8-19(28-2)14-21(20)29-3/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 9130137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).