1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one

C20H23N3O2 — CID 110408656

IUPAC1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)C(Cc2ccccn2)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c1-16(24)22-11-13-23(14-12-22)20(25)19(17-7-3-2-4-8-17)15-18-9-5-6-10-21-18/h2-10,19H,11-15H2,1H3
InChIKeyQOMBPLQHEYPQFX-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.10
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one

1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one (PubChem CID 110408656) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
PubChem CID110408656
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
SMILESCC(=O)N1CCN(C(=O)C(Cc2ccccn2)c2ccccc2)CC1
InChIInChI=1S/C20H23N3O2/c1-16(24)22-11-13-23(14-12-22)20(25)19(17-7-3-2-4-8-17)15-18-9-5-6-10-21-18/h2-10,19H,11-15H2,1H3
InChIKeyQOMBPLQHEYPQFX-UHFFFAOYSA-N
XLogP2.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one
CID 110411945
N-(2-oxo-2-piperidin-1-ylethyl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110633466
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-cyclopentyl-2-phenyl-3-pyridin-2-ylpropanamide
CID 110407019
2-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110417211
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
2-(4-fluorophenyl)-3-pyridin-2-yl-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 110308190
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
N-(6-bromo-3-pyridinyl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110614697
N-(1,3-benzodioxol-5-yl)-2-phenyl-3-pyridin-2-ylpropanamide
CID 110426267
1-[4-[(3E)-3-methoxyimino-1-pyridin-2-ylbutan-2-yl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10457442

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one (CID 110408656) is 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one is CC(=O)N1CCN(C(=O)C(Cc2ccccn2)c2ccccc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one?
The InChIKey is QOMBPLQHEYPQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16(24)22-11-13-23(14-12-22)20(25)19(17-7-3-2-4-8-17)15-18-9-5-6-10-21-18/h2-10,19H,11-15H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one?
1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one has a molecular weight of 337.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-phenyl-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 110408656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).