2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide

C21H26N4O2 — CID 119872718

IUPAC2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESNc1ccc(CC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c22-19-8-6-17(7-9-19)14-20(26)23-15-21(27)25-12-10-24(11-13-25)16-18-4-2-1-3-5-18/h1-9H,10-16,22H2,(H,23,26)
InChIKeyAEGGWXAHTPAABL-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.27
Rot. Bonds6

About 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide

2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 119872718) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID119872718
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESNc1ccc(CC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c22-19-8-6-17(7-9-19)14-20(26)23-15-21(27)25-12-10-24(11-13-25)16-18-4-2-1-3-5-18/h1-9H,10-16,22H2,(H,23,26)
InChIKeyAEGGWXAHTPAABL-UHFFFAOYSA-N
XLogP1.27
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.27
H-Bond Donors ≤ 52
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

1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]-2-anilinoethanone
CID 68841046
1-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119872708
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
4-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]pentanamide
CID 120565252
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-phenoxyacetamide
CID 7779440
(2R)-2-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]propanamide
CID 119872740
methyl N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]carbamate
CID 112993880
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119872768
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-naphthalen-2-ylpropanamide
CID 75369026
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
3-amino-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-methylbutanamide
CID 120503600
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 119872718) is 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide is Nc1ccc(CC(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is AEGGWXAHTPAABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-19-8-6-17(7-9-19)14-20(26)23-15-21(27)25-12-10-24(11-13-25)16-18-4-2-1-3-5-18/h1-9H,10-16,22H2,(H,23,26).
What are the key properties of 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide?
2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 119872718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).