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

C18H21N3O — CID 10661560

IUPAC1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H21N3O/c22-17(16-6-2-1-3-7-16)9-11-20-12-14-21(15-13-20)18-8-4-5-10-19-18/h1-8,10H,9,11-15H2
InChIKeyBQRNMHGSNMYICH-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.48
Rot. Bonds5

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

1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 10661560) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID10661560
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H21N3O/c22-17(16-6-2-1-3-7-16)9-11-20-12-14-21(15-13-20)18-8-4-5-10-19-18/h1-8,10H,9,11-15H2
InChIKeyBQRNMHGSNMYICH-UHFFFAOYSA-N
XLogP2.48
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 10661560) is 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is BQRNMHGSNMYICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-17(16-6-2-1-3-7-16)9-11-20-12-14-21(15-13-20)18-8-4-5-10-19-18/h1-8,10H,9,11-15H2.
What are the key properties of 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 295.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 10661560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).