2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide

C15H22ClN3O2 — CID 119444817

IUPAC2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCN1CCNCC1
InChIInChI=1S/C15H22ClN3O2/c1-21-14-3-2-13(16)10-12(14)11-15(20)18-6-9-19-7-4-17-5-8-19/h2-3,10,17H,4-9,11H2,1H3,(H,18,20)
InChIKeyGOHJBPBXLPLGHI-UHFFFAOYSA-N
MW311.81 g/mol
LogP0.91
Rot. Bonds6

About 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide

2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 119444817) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID119444817
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NCCN1CCNCC1
InChIInChI=1S/C15H22ClN3O2/c1-21-14-3-2-13(16)10-12(14)11-15(20)18-6-9-19-7-4-17-5-8-19/h2-3,10,17H,4-9,11H2,1H3,(H,18,20)
InChIKeyGOHJBPBXLPLGHI-UHFFFAOYSA-N
XLogP0.91
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
2-(5-chloro-2-methoxyphenyl)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]acetamide
CID 52910536
2-(5-chloro-2-methoxyphenyl)-N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 87008728
2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392447
3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394510
2-(3-chlorophenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119448868
5-chloro-N-(2-piperazin-1-ylethyl)-2-propoxybenzamide
CID 119445271
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
2-(5-chloro-2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119533390
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide (CID 119444817) is 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide is COc1ccc(Cl)cc1CC(=O)NCCN1CCNCC1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is GOHJBPBXLPLGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-21-14-3-2-13(16)10-12(14)11-15(20)18-6-9-19-7-4-17-5-8-19/h2-3,10,17H,4-9,11H2,1H3,(H,18,20).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide?
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 311.81 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119444817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).