N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide

C16H24N4O — CID 61439794

IUPACN-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H24N4O/c1-12-2-3-13(17)10-15(12)18-16(21)11-19-6-8-20(9-7-19)14-4-5-14/h2-3,10,14H,4-9,11,17H2,1H3,(H,18,21)
InChIKeyQCTZOXCWIAEXOS-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.30
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide

N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide (PubChem CID 61439794) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
PubChem CID61439794
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
SMILESCc1ccc(N)cc1NC(=O)CN1CCN(C2CC2)CC1
InChIInChI=1S/C16H24N4O/c1-12-2-3-13(17)10-15(12)18-16(21)11-19-6-8-20(9-7-19)14-4-5-14/h2-3,10,14H,4-9,11,17H2,1H3,(H,18,21)
InChIKeyQCTZOXCWIAEXOS-UHFFFAOYSA-N
XLogP1.30
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
CID 16788488
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 114797132
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078
N-(2,5-dimethylphenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]acetamide
CID 71913541
N-(5-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62330463
N-(5-amino-2-methylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 61406897
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119926850
N-(5-amino-2-methoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 16784173

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide (CID 61439794) is N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide is Cc1ccc(N)cc1NC(=O)CN1CCN(C2CC2)CC1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide?
The InChIKey is QCTZOXCWIAEXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-2-3-13(17)10-15(12)18-16(21)11-19-6-8-20(9-7-19)14-4-5-14/h2-3,10,14H,4-9,11,17H2,1H3,(H,18,21).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide?
N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide is sourced from PubChem (CID 61439794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).