N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide

C16H25N3O3 — CID 1439205

IUPACN-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1
InChIInChI=1S/C16H25N3O3/c1-4-18-8-10-19(11-9-18)12-15(20)17-16-13(21-2)6-5-7-14(16)22-3/h5-7H,4,8-12H2,1-3H3,(H,17,20)
InChIKeyZKCKXFBKJJZFEO-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.28
Rot. Bonds6

About N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide

N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 1439205) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID1439205
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1
InChIInChI=1S/C16H25N3O3/c1-4-18-8-10-19(11-9-18)12-15(20)17-16-13(21-2)6-5-7-14(16)22-3/h5-7H,4,8-12H2,1-3H3,(H,17,20)
InChIKeyZKCKXFBKJJZFEO-UHFFFAOYSA-N
XLogP1.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 169439062
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-[2-(2-methoxyphenyl)ethoxy]propyl]piperazin-1-yl]acetamide
CID 169439064
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
methyl 4-methoxy-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 2004173
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429727
2-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021753
N-(2,6-dimethylphenyl)-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 27850794
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
CID 71044231
N-(2,6-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108867927

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide (CID 1439205) is N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2c(OC)cccc2OC)CC1.
What is the InChIKey of N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is ZKCKXFBKJJZFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-18-8-10-19(11-9-18)12-15(20)17-16-13(21-2)6-5-7-14(16)22-3/h5-7H,4,8-12H2,1-3H3,(H,17,20).
What are the key properties of N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide?
N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 1439205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).