2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide

C23H30ClN3O3 — CID 24585994

IUPAC2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CN1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C23H30ClN3O3/c1-2-16-29-22-10-6-4-8-20(22)25-23(28)18-27-13-11-26(12-14-27)15-17-30-21-9-5-3-7-19(21)24/h3-10H,2,11-18H2,1H3,(H,25,28)
InChIKeyVYDNHIDNZBTKNO-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.76
Rot. Bonds10

About 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide (PubChem CID 24585994) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
PubChem CID24585994
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
SMILESCCCOc1ccccc1NC(=O)CN1CCN(CCOc2ccccc2Cl)CC1
InChIInChI=1S/C23H30ClN3O3/c1-2-16-29-22-10-6-4-8-20(22)25-23(28)18-27-13-11-26(12-14-27)15-17-30-21-9-5-3-7-19(21)24/h3-10H,2,11-18H2,1H3,(H,25,28)
InChIKeyVYDNHIDNZBTKNO-UHFFFAOYSA-N
XLogP3.76
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 34708396
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 35462388
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24674493
N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide
CID 78833168
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 86345330
N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24589425
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260111

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide?
The IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide (CID 24585994) is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide is CCCOc1ccccc1NC(=O)CN1CCN(CCOc2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide?
The InChIKey is VYDNHIDNZBTKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c1-2-16-29-22-10-6-4-8-20(22)25-23(28)18-27-13-11-26(12-14-27)15-17-30-21-9-5-3-7-19(21)24/h3-10H,2,11-18H2,1H3,(H,25,28).
What are the key properties of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide?
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide has a molecular weight of 431.96 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide is sourced from PubChem (CID 24585994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).