N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide

C15H24N4O — CID 16781245

IUPACN-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-2-6-18-7-9-19(10-8-18)12-15(20)17-14-5-3-4-13(16)11-14/h3-5,11H,2,6-10,12,16H2,1H3,(H,17,20)
InChIKeyXCQSRSCCEAAYTO-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.23
Rot. Bonds5

About N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide

N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide (PubChem CID 16781245) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
PubChem CID16781245
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide
SMILESCCCN1CCN(CC(=O)Nc2cccc(N)c2)CC1
InChIInChI=1S/C15H24N4O/c1-2-6-18-7-9-19(10-8-18)12-15(20)17-14-5-3-4-13(16)11-14/h3-5,11H,2,6-10,12,16H2,1H3,(H,17,20)
InChIKeyXCQSRSCCEAAYTO-UHFFFAOYSA-N
XLogP1.23
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.23
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

N-(3-aminophenyl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 62992900
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63165957
N-(3-aminophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 28744833
N-(3,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 6468812
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
N-(3-aminophenyl)-2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)acetamide
CID 79917172
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
N-(3-aminophenyl)-4-(azocan-1-yl)butanamide
CID 28799889
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide (CID 16781245) is N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide is CCCN1CCN(CC(=O)Nc2cccc(N)c2)CC1.
What is the InChIKey of N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide?
The InChIKey is XCQSRSCCEAAYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-6-18-7-9-19(10-8-18)12-15(20)17-14-5-3-4-13(16)11-14/h3-5,11H,2,6-10,12,16H2,1H3,(H,17,20).
What are the key properties of N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide?
N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(4-propylpiperazin-1-yl)acetamide is sourced from PubChem (CID 16781245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).