2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide

C20H25N5O2 — CID 108517834

IUPAC2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide
SMILESNCCN1CCN(C(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)CC1
InChIInChI=1S/C20H25N5O2/c21-10-11-23-12-14-24(15-13-23)19(26)20(27)25(17-4-2-1-3-5-17)18-8-6-16(22)7-9-18/h1-9H,10-15,21-22H2
InChIKeyYNRVBIKXAYWKFJ-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.04
Rot. Bonds4

About 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide

2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide (PubChem CID 108517834) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide
PubChem CID108517834
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide
SMILESNCCN1CCN(C(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)CC1
InChIInChI=1S/C20H25N5O2/c21-10-11-23-12-14-24(15-13-23)19(26)20(27)25(17-4-2-1-3-5-17)18-8-6-16(22)7-9-18/h1-9H,10-15,21-22H2
InChIKeyYNRVBIKXAYWKFJ-UHFFFAOYSA-N
XLogP1.04
TPSA95.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.04
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'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxo-N-phenylacetamide
CID 108522831
N-(4-aminophenyl)-2-oxo-N-phenyl-2-piperidin-1-ylacetamide
CID 108517237
2-[4-(2-aminoethyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108517764
N-(4-aminophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxo-N-phenylacetamide
CID 108525488
(Z)-3-(4-aminoanilino)-2-[4-(2-aminoethyl)piperazine-1-carbonyl]prop-2-enenitrile
CID 108863628
2-amino-N-[2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxoacetyl]benzamide
CID 108517914
(Z)-2-[4-(2-aminoethyl)piperazine-1-carbonyl]-3-(N-ethylanilino)prop-2-enenitrile
CID 108863886
2-[4-(2-aminoethyl)piperazin-1-yl]-2-oxo-N-(2-phenylsulfanylphenyl)acetamide
CID 108515107
N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70061638
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
N'-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)-N'-phenyloxamide
CID 108509880
4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894759

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide (CID 108517834) is 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide is NCCN1CCN(C(=O)C(=O)N(c2ccccc2)c2ccc(N)cc2)CC1.
What is the InChIKey of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide?
The InChIKey is YNRVBIKXAYWKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-10-11-23-12-14-24(15-13-23)19(26)20(27)25(17-4-2-1-3-5-17)18-8-6-16(22)7-9-18/h1-9H,10-15,21-22H2.
What are the key properties of 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide?
2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide has a molecular weight of 367.45 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)piperazin-1-yl]-N-(4-aminophenyl)-2-oxo-N-phenylacetamide is sourced from PubChem (CID 108517834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).