N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide

C16H26N4O — CID 61430101

IUPACN-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
SMILESCC(C)(C)N1CCN(CC(=O)Nc2ccc(N)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-10-8-19(9-11-20)12-15(21)18-14-6-4-13(17)5-7-14/h4-7H,8-12,17H2,1-3H3,(H,18,21)
InChIKeyKEGVFIBANUNLDD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.62
Rot. Bonds3

About N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide

N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide (PubChem CID 61430101) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
PubChem CID61430101
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
SMILESCC(C)(C)N1CCN(CC(=O)Nc2ccc(N)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-16(2,3)20-10-8-19(9-11-20)12-15(21)18-14-6-4-13(17)5-7-14/h4-7H,8-12,17H2,1-3H3,(H,18,21)
InChIKeyKEGVFIBANUNLDD-UHFFFAOYSA-N
XLogP1.62
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide
CID 61430147
2-(4-aminophenyl)-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]acetamide;dihydrochloride
CID 119871130
2-[4-(4-aminophenyl)piperazin-1-yl]-N-(4-anilinophenyl)acetamide
CID 57188143
N-(4-aminophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;dihydrochloride
CID 175654262
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 91387404
N-(4-tert-butylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 82342704
N-(4-aminophenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 16778608
N-(4-aminophenyl)-2-(4-tert-butyl-2-oxopyrrolidin-1-yl)acetamide
CID 104510942
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide (CID 61430101) is N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide is CC(C)(C)N1CCN(CC(=O)Nc2ccc(N)cc2)CC1.
What is the InChIKey of N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide?
The InChIKey is KEGVFIBANUNLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-16(2,3)20-10-8-19(9-11-20)12-15(21)18-14-6-4-13(17)5-7-14/h4-7H,8-12,17H2,1-3H3,(H,18,21).
What are the key properties of N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide?
N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4-tert-butylpiperazin-1-yl)acetamide is sourced from PubChem (CID 61430101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).