3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C20H26N4O — CID 109030253

IUPAC3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCc1ccc(NCCC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-17-6-8-18(9-7-17)21-12-10-20(25)24-15-13-23(14-16-24)19-5-3-4-11-22-19/h3-9,11,21H,2,10,12-16H2,1H3
InChIKeyBXAHYTIZTHVCGA-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.79
Rot. Bonds6

About 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 109030253) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID109030253
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCCc1ccc(NCCC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C20H26N4O/c1-2-17-6-8-18(9-7-17)21-12-10-20(25)24-15-13-23(14-16-24)19-5-3-4-11-22-19/h3-9,11,21H,2,10,12-16H2,1H3
InChIKeyBXAHYTIZTHVCGA-UHFFFAOYSA-N
XLogP2.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 120970715
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 51100868
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
2-(4-aminophenyl)-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 119870745
ethyl 4-[[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]amino]benzoate
CID 109030481
3-[1-(2-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572653
[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124170
2-benzyl-1-ethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 110953404

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 109030253) is 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CCc1ccc(NCCC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is BXAHYTIZTHVCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-17-6-8-18(9-7-17)21-12-10-20(25)24-15-13-23(14-16-24)19-5-3-4-11-22-19/h3-9,11,21H,2,10,12-16H2,1H3.
What are the key properties of 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 338.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109030253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).