N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide

C15H24N4O — CID 69059607

IUPACN-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)N(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N4O/c1-17-9-11-19(12-10-17)8-7-15(20)18(2)14-5-3-13(16)4-6-14/h3-6H,7-12,16H2,1-2H3
InChIKeyXWMHEHQUERBWSC-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.87
Rot. Bonds4

About N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide

N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 69059607) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID69059607
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
SMILESCN1CCN(CCC(=O)N(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N4O/c1-17-9-11-19(12-10-17)8-7-15(20)18(2)14-5-3-13(16)4-6-14/h3-6H,7-12,16H2,1-2H3
InChIKeyXWMHEHQUERBWSC-UHFFFAOYSA-N
XLogP0.87
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
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-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
CID 173431785
CID 173431785
N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70321883
N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70061638
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-methyl-N-phenyl-3-piperidin-1-ylpropanamide
CID 110688340
N-(4-aminophenyl)-3-(dimethylamino)-N-methylpropanamide
CID 23506938
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]hexanamide
CID 70058532
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
N-methyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014553
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide (CID 69059607) is N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide is CN1CCN(CCC(=O)N(C)c2ccc(N)cc2)CC1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is XWMHEHQUERBWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-17-9-11-19(12-10-17)8-7-15(20)18(2)14-5-3-13(16)4-6-14/h3-6H,7-12,16H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide?
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 69059607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).