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

C18H21N3O — CID 2887947

IUPAC3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O/c22-18(10-9-16-6-2-1-3-7-16)21-14-12-20(13-15-21)17-8-4-5-11-19-17/h1-8,11H,9-10,12-15H2
InChIKeyJETNPWIMHULIBO-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.36
Rot. Bonds4

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

3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 2887947) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID2887947
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H21N3O/c22-18(10-9-16-6-2-1-3-7-16)21-14-12-20(13-15-21)17-8-4-5-11-19-17/h1-8,11H,9-10,12-15H2
InChIKeyJETNPWIMHULIBO-UHFFFAOYSA-N
XLogP2.36
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 2887947) is 3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCc1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is JETNPWIMHULIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c22-18(10-9-16-6-2-1-3-7-16)21-14-12-20(13-15-21)17-8-4-5-11-19-17/h1-8,11H,9-10,12-15H2.
What are the key properties of 3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 295.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2887947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).