N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide

C19H25N5O — CID 70061638

IUPACN,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N(c2ccc(N)cc2)c2ccc(N)cc2)CC1
InChIInChI=1S/C19H25N5O/c1-22-10-12-23(13-11-22)14-19(25)24(17-6-2-15(20)3-7-17)18-8-4-16(21)5-9-18/h2-9H,10-14,20-21H2,1H3
InChIKeyAJPSNRGVMNGWSQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.76
Rot. Bonds4

About N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide

N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 70061638) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID70061638
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)N(c2ccc(N)cc2)c2ccc(N)cc2)CC1
InChIInChI=1S/C19H25N5O/c1-22-10-12-23(13-11-22)14-19(25)24(17-6-2-15(20)3-7-17)18-8-4-16(21)5-9-18/h2-9H,10-14,20-21H2,1H3
InChIKeyAJPSNRGVMNGWSQ-UHFFFAOYSA-N
XLogP1.76
TPSA78.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
1-(4-aminoanilino)-3-(4-methylpiperazin-1-yl)propan-2-one
CID 91387404
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70321883
N-methyl-4-(N-[2-(4-methylpiperazin-1-yl)acetyl]anilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 57197993
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
2-[4-[2-(4-amino-N-hydroxyanilino)-2-oxoethyl]-4-methylpiperazin-4-ium-1-yl]-N-(4-aminophenyl)-N-hydroxyacetamide
CID 18424586
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
N-methyl-2-(4-methylpiperazin-1-yl)-N-(4-phenylsulfanylphenyl)acetamide
CID 12734396
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide
CID 108517834
N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide
CID 108522831

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide (CID 70061638) is N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)N(c2ccc(N)cc2)c2ccc(N)cc2)CC1.
What is the InChIKey of N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is AJPSNRGVMNGWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22-10-12-23(13-11-22)14-19(25)24(17-6-2-15(20)3-7-17)18-8-4-16(21)5-9-18/h2-9H,10-14,20-21H2,1H3.
What are the key properties of N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide?
N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 70061638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).