2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

C21H32ClN3O2 — CID 78871439

IUPAC2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(CCOc3ccccc3Cl)CC2)C1
InChIInChI=1S/C21H32ClN3O2/c1-17-5-4-6-18(15-17)23-21(26)16-25-11-9-24(10-12-25)13-14-27-20-8-3-2-7-19(20)22/h2-3,7-8,17-18H,4-6,9-16H2,1H3,(H,23,26)
InChIKeyRJICMSIMCWOLFH-UHFFFAOYSA-N
MW393.96 g/mol
LogP3.03
Rot. Bonds7

About 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide (PubChem CID 78871439) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
PubChem CID78871439
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(CCOc3ccccc3Cl)CC2)C1
InChIInChI=1S/C21H32ClN3O2/c1-17-5-4-6-18(15-17)23-21(26)16-25-11-9-24(10-12-25)13-14-27-20-8-3-2-7-19(20)22/h2-3,7-8,17-18H,4-6,9-16H2,1H3,(H,23,26)
InChIKeyRJICMSIMCWOLFH-UHFFFAOYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 35462388
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-propoxyphenyl)acetamide
CID 24585994
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35803451
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936
N'-[2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]acetyl]benzohydrazide
CID 78833168
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 55490221
N-cyclopropyl-2-[4-[3-(2-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 51095932
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 35803587
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55489470
N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide
CID 124842311
N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133293470

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide (CID 78871439) is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide is CC1CCCC(NC(=O)CN2CCN(CCOc3ccccc3Cl)CC2)C1.
What is the InChIKey of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
The InChIKey is RJICMSIMCWOLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3O2/c1-17-5-4-6-18(15-17)23-21(26)16-25-11-9-24(10-12-25)13-14-27-20-8-3-2-7-19(20)22/h2-3,7-8,17-18H,4-6,9-16H2,1H3,(H,23,26).
What are the key properties of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide?
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide has a molecular weight of 393.96 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide is sourced from PubChem (CID 78871439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).