N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide

C15H24N4O2 — CID 16779280

IUPACN-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H24N4O2/c1-18-7-9-19(10-8-18)6-5-15(20)17-13-4-3-12(16)11-14(13)21-2/h3-4,11H,5-10,16H2,1-2H3,(H,17,20)
InChIKeyZJKGADJJLVXBKB-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.85
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide

N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 16779280) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID16779280
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide
SMILESCOc1cc(N)ccc1NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C15H24N4O2/c1-18-7-9-19(10-8-18)6-5-15(20)17-13-4-3-12(16)11-14(13)21-2/h3-4,11H,5-10,16H2,1-2H3,(H,17,20)
InChIKeyZJKGADJJLVXBKB-UHFFFAOYSA-N
XLogP0.85
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 115964875
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 91830032
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
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N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(4-amino-2-methoxyphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81098626
N-(4-amino-2-methoxyphenyl)nonanamide
CID 65447968
N-(4-amino-2-methoxyphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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N-(4-amino-2-methoxyphenyl)-3-propylsulfinylpropanamide
CID 61304446
N-(4-amino-2-methoxyphenyl)-2-(3-methylpyrrolidin-1-yl)acetamide
CID 61223798
N-(4-amino-2-methoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246094
N-(4-amino-2-methoxyphenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 61034761

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide (CID 16779280) is N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide is COc1cc(N)ccc1NC(=O)CCN1CCN(C)CC1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is ZJKGADJJLVXBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18-7-9-19(10-8-18)6-5-15(20)17-13-4-3-12(16)11-14(13)21-2/h3-4,11H,5-10,16H2,1-2H3,(H,17,20).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide?
N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 16779280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).