2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

C17H26ClN3O3 — CID 31001529

IUPAC2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C17H26ClN3O3/c1-23-10-5-19-17(22)13-21-8-6-20(7-9-21)12-14-11-15(18)3-4-16(14)24-2/h3-4,11H,5-10,12-13H2,1-2H3,(H,19,22)
InChIKeyPUJFALQGKLYQOS-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.23
Rot. Bonds8

About 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide

2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 31001529) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID31001529
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C17H26ClN3O3/c1-23-10-5-19-17(22)13-21-8-6-20(7-9-21)12-14-11-15(18)3-4-16(14)24-2/h3-4,11H,5-10,12-13H2,1-2H3,(H,19,22)
InChIKeyPUJFALQGKLYQOS-UHFFFAOYSA-N
XLogP1.23
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 46056186
2-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 51239949
N-(5-chloro-2-fluorophenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9436466
N-[2-(4-chlorophenoxy)ethyl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 35885849
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 55409153
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997912
2-(5-chloro-2-methoxyphenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 86990582
N-(2-methoxyethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetamide
CID 31001505
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(2-phenylsulfanylethyl)acetamide
CID 8997761
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129710
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide (CID 31001529) is 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN1CCN(Cc2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is PUJFALQGKLYQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-23-10-5-19-17(22)13-21-8-6-20(7-9-21)12-14-11-15(18)3-4-16(14)24-2/h3-4,11H,5-10,12-13H2,1-2H3,(H,19,22).
What are the key properties of 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide?
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 355.87 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 31001529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).