2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide

C16H25N3O3 — CID 119446777

IUPAC2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H25N3O3/c1-21-14-3-4-15(22-2)13(11-14)12-16(20)18-7-10-19-8-5-17-6-9-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20)
InChIKeyYXSYKEFASLBTIQ-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.27
Rot. Bonds7

About 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide

2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 119446777) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID119446777
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCOc1ccc(OC)c(CC(=O)NCCN2CCNCC2)c1
InChIInChI=1S/C16H25N3O3/c1-21-14-3-4-15(22-2)13(11-14)12-16(20)18-7-10-19-8-5-17-6-9-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20)
InChIKeyYXSYKEFASLBTIQ-UHFFFAOYSA-N
XLogP0.27
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
2-(2,5-dimethoxyphenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 78869416
2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392447
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
2-(2,5-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 78820291
2-(2,5-dimethoxyphenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78822014
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
2-(2,5-dimethoxyphenyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 78879562
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
2-[4-[(2,4-dimethoxyphenyl)methylamino]phenyl]-N-(2-piperidin-1-ylethyl)acetamide
CID 42852645
3-methoxy-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide;hydrochloride
CID 119445747

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide (CID 119446777) is 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide is COc1ccc(OC)c(CC(=O)NCCN2CCNCC2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is YXSYKEFASLBTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-21-14-3-4-15(22-2)13(11-14)12-16(20)18-7-10-19-8-5-17-6-9-19/h3-4,11,17H,5-10,12H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119446777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).