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

C20H27ClN4O2 — CID 35803587

IUPAC2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CN2CCN(CCOc3ccccc3Cl)CC2)CCCC1
InChIInChI=1S/C20H27ClN4O2/c21-17-5-1-2-6-18(17)27-14-13-24-9-11-25(12-10-24)15-19(26)23-20(16-22)7-3-4-8-20/h1-2,5-6H,3-4,7-15H2,(H,23,26)
InChIKeyODBRFVDHPUSWTG-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.29
Rot. Bonds7

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

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 35803587) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
PubChem CID35803587
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CN2CCN(CCOc3ccccc3Cl)CC2)CCCC1
InChIInChI=1S/C20H27ClN4O2/c21-17-5-1-2-6-18(17)27-14-13-24-9-11-25(12-10-24)15-19(26)23-20(16-22)7-3-4-8-20/h1-2,5-6H,3-4,7-15H2,(H,23,26)
InChIKeyODBRFVDHPUSWTG-UHFFFAOYSA-N
XLogP2.29
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocycloheptyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 55537421
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 35462388
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-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 4824530
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
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]-N-(2-propoxyphenyl)acetamide
CID 24585994
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 55489470
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 78871439
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide (CID 35803587) is 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)CN2CCN(CCOc3ccccc3Cl)CC2)CCCC1.
What is the InChIKey of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is ODBRFVDHPUSWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c21-17-5-1-2-6-18(17)27-14-13-24-9-11-25(12-10-24)15-19(26)23-20(16-22)7-3-4-8-20/h1-2,5-6H,3-4,7-15H2,(H,23,26).
What are the key properties of 2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide?
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 390.92 g/mol, XLogP of 2.29, 7 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-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 35803587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).