N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide

C15H24N4O — CID 43375589

IUPACN-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
SMILESCCN1CCN(CC(=O)N(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N4O/c1-3-18-8-10-19(11-9-18)12-15(20)17(2)14-6-4-13(16)5-7-14/h4-7H,3,8-12,16H2,1-2H3
InChIKeyFPNBOXXMVKHNEJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.87
Rot. Bonds4

About N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide

N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide (PubChem CID 43375589) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
PubChem CID43375589
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
SMILESCCN1CCN(CC(=O)N(C)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H24N4O/c1-3-18-8-10-19(11-9-18)12-15(20)17(2)14-6-4-13(16)5-7-14/h4-7H,3,8-12,16H2,1-2H3
InChIKeyFPNBOXXMVKHNEJ-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-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
CID 61440037
N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63003549
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
N-(4-aminophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114797175
N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70061638
N-methyl-N-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70321883
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490458
N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
CID 154490639
N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
CID 106585961
N-methyl-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 21061007

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide (CID 43375589) is N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide is CCN1CCN(CC(=O)N(C)c2ccc(N)cc2)CC1.
What is the InChIKey of N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide?
The InChIKey is FPNBOXXMVKHNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-18-8-10-19(11-9-18)12-15(20)17(2)14-6-4-13(16)5-7-14/h4-7H,3,8-12,16H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide?
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide 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)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 43375589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).