3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide

C17H28N4O — CID 120613546

IUPAC3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(CNC(=O)CCc1ccccc1N)N1CCN(C)CC1
InChIInChI=1S/C17H28N4O/c1-14(21-11-9-20(2)10-12-21)13-19-17(22)8-7-15-5-3-4-6-16(15)18/h3-6,14H,7-13,18H2,1-2H3,(H,19,22)
InChIKeyFQXYWZWZTSACMF-UHFFFAOYSA-N
MW304.44 g/mol
LogP0.95
Rot. Bonds6

About 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide

3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide (PubChem CID 120613546) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide
PubChem CID120613546
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide
SMILESCC(CNC(=O)CCc1ccccc1N)N1CCN(C)CC1
InChIInChI=1S/C17H28N4O/c1-14(21-11-9-20(2)10-12-21)13-19-17(22)8-7-15-5-3-4-6-16(15)18/h3-6,14H,7-13,18H2,1-2H3,(H,19,22)
InChIKeyFQXYWZWZTSACMF-UHFFFAOYSA-N
XLogP0.95
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 50.95
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

3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604374
3-(2-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]propanamide;dihydrochloride
CID 120612401
3-(2-aminophenyl)-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide;dihydrochloride
CID 120612631
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide
CID 120610293
3-(2-aminophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]propanamide
CID 120611754
(2S)-3-[3-(2-aminophenyl)propanoylamino]-2-hydroxypropanoic acid
CID 107835782
2-(2-methylphenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]acetamide
CID 95604367
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
3-(2-aminophenyl)-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 120610292
3-(2-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]propanamide
CID 60506646
3-(2-aminophenyl)-N-(2-ethyl-4-hydroxybutyl)propanamide;hydrochloride
CID 120610920
3-(2-aminophenyl)-N-(4-hydroxy-2-phenylpentyl)propanamide;hydrochloride
CID 120611894

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide (CID 120613546) is 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide is CC(CNC(=O)CCc1ccccc1N)N1CCN(C)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide?
The InChIKey is FQXYWZWZTSACMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-14(21-11-9-20(2)10-12-21)13-19-17(22)8-7-15-5-3-4-6-16(15)18/h3-6,14H,7-13,18H2,1-2H3,(H,19,22).
What are the key properties of 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide?
3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide has a molecular weight of 304.44 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]propanamide is sourced from PubChem (CID 120613546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).