2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C25H34ClN3O2 — CID 30738065

IUPAC2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(OCCCN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C25H34ClN3O2/c1-25(2,3)20-9-11-21(12-10-20)31-18-6-13-28-14-16-29(17-15-28)19-24(30)27-23-8-5-4-7-22(23)26/h4-5,7-12H,6,13-19H2,1-3H3,(H,27,30)
InChIKeyTZWPGYNKCOIKOF-UHFFFAOYSA-N
MW444.02 g/mol
LogP4.66
Rot. Bonds8

About 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 30738065) has the molecular formula C25H34ClN3O2 and a molecular weight of 444.02 g/mol. Its IUPAC name is 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID30738065
Molecular FormulaC25H34ClN3O2
Molecular Weight444.02 g/mol
Exact Mass443.23
IUPAC Name2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(OCCCN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C25H34ClN3O2/c1-25(2,3)20-9-11-21(12-10-20)31-18-6-13-28-14-16-29(17-15-28)19-24(30)27-23-8-5-4-7-22(23)26/h4-5,7-12H,6,13-19H2,1-3H3,(H,27,30)
InChIKeyTZWPGYNKCOIKOF-UHFFFAOYSA-N
XLogP4.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.02
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide
CID 34708396
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetamide
CID 9260111
N-(2-chlorophenyl)-2-[4-[4-(4-fluorophenoxy)butanoyl]piperazin-1-yl]acetamide
CID 37214098
methyl 3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]propanoate
CID 31955891
[2-(2-chloroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856011
N-(2-chlorophenyl)-2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020660
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17498493
N-(2,5-dichlorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 9259761
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 30738065) is 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is CC(C)(C)c1ccc(OCCCN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is TZWPGYNKCOIKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O2/c1-25(2,3)20-9-11-21(12-10-20)31-18-6-13-28-14-16-29(17-15-28)19-24(30)27-23-8-5-4-7-22(23)26/h4-5,7-12H,6,13-19H2,1-3H3,(H,27,30).
What are the key properties of 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 444.02 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-tert-butylphenoxy)propyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 30738065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).