2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide

C20H25N5O2 — CID 119870745

IUPAC2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESNc1ccc(CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c21-17-6-4-16(5-7-17)15-19(26)23-10-8-20(27)25-13-11-24(12-14-25)18-3-1-2-9-22-18/h1-7,9H,8,10-15,21H2,(H,23,26)
InChIKeyXNIYGPVKASFZAA-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.06
Rot. Bonds6

About 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide

2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide (PubChem CID 119870745) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
PubChem CID119870745
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
SMILESNc1ccc(CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c21-17-6-4-16(5-7-17)15-19(26)23-10-8-20(27)25-13-11-24(12-14-25)18-3-1-2-9-22-18/h1-7,9H,8,10-15,21H2,(H,23,26)
InChIKeyXNIYGPVKASFZAA-UHFFFAOYSA-N
XLogP1.06
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride
CID 119870734
2-(4-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 119849520
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 94806313
3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030253
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
N-(2-aminophenyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 58930570
2-(3-methylbutyl)-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111092171
2-benzyl-1-ethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 110953404
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide (CID 119870745) is 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide is Nc1ccc(CC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
The InChIKey is XNIYGPVKASFZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-17-6-4-16(5-7-17)15-19(26)23-10-8-20(27)25-13-11-24(12-14-25)18-3-1-2-9-22-18/h1-7,9H,8,10-15,21H2,(H,23,26).
What are the key properties of 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide?
2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide has a molecular weight of 367.45 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 119870745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).