2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane

C21H36N4O2 — CID 162725444

IUPAC2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane
SMILESCC.Cc1ccc(NC(=O)CN2CCN(C(=O)CNC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O2.C2H6/c1-15-5-7-16(8-6-15)21-17(24)14-22-9-11-23(12-10-22)18(25)13-20-19(2,3)4;1-2/h5-8,20H,9-14H2,1-4H3,(H,21,24);1-2H3
InChIKeyHJSYEXRCVJBTPP-UHFFFAOYSA-N
MW376.55 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane

2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane (PubChem CID 162725444) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane.

Molecular Properties

Compound Name2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane
PubChem CID162725444
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane
SMILESCC.Cc1ccc(NC(=O)CN2CCN(C(=O)CNC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N4O2.C2H6/c1-15-5-7-16(8-6-15)21-17(24)14-22-9-11-23(12-10-22)18(25)13-20-19(2,3)4;1-2/h5-8,20H,9-14H2,1-4H3,(H,21,24);1-2H3
InChIKeyHJSYEXRCVJBTPP-UHFFFAOYSA-N
XLogP2.49
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
CID 171327747
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 31150970
2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 55364420
2-[4-[2-(2,6-dimethylanilino)acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 78822996
(2R)-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 51631928
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-phenylacetamide
CID 33150190

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane?
The IUPAC name of 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane (CID 162725444) is 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane.
What is the SMILES notation for 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane?
The canonical SMILES for 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane is CC.Cc1ccc(NC(=O)CN2CCN(C(=O)CNC(C)(C)C)CC2)cc1.
What is the InChIKey of 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane?
The InChIKey is HJSYEXRCVJBTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2.C2H6/c1-15-5-7-16(8-6-15)21-17(24)14-22-9-11-23(12-10-22)18(25)13-20-19(2,3)4;1-2/h5-8,20H,9-14H2,1-4H3,(H,21,24);1-2H3.
What are the key properties of 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane?
2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane has a molecular weight of 376.55 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(tert-butylamino)acetyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide;ethane is sourced from PubChem (CID 162725444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).