1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one

C20H25N3O — CID 68943810

IUPAC1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
SMILESO=C(Cc1cccnc1)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c24-20(15-19-7-4-9-21-16-19)17-23-13-11-22(12-14-23)10-8-18-5-2-1-3-6-18/h1-7,9,16H,8,10-15,17H2
InChIKeyALSZSFDTNHBZDI-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.05
Rot. Bonds7

About 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one

1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one (PubChem CID 68943810) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
PubChem CID68943810
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
SMILESO=C(Cc1cccnc1)CN1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H25N3O/c24-20(15-19-7-4-9-21-16-19)17-23-13-11-22(12-14-23)10-8-18-5-2-1-3-6-18/h1-7,9,16H,8,10-15,17H2
InChIKeyALSZSFDTNHBZDI-UHFFFAOYSA-N
XLogP2.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-4-(pyridin-3-ylmethyl)piperazine;trihydrobromide
CID 68939346
N'-hydroxy-2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]ethanimidamide
CID 77011852
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981
1-propyl-4-(2-pyridin-3-ylethyl)piperazine
CID 171561190
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
1-(azepan-1-yl)-3-phenylpropan-2-one
CID 43794492
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
2-[4-(2-oxo-3-pyridin-3-ylpropyl)piperazin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one
CID 146821360
(E)-3-hydroxy-1-[1-(2-phenylethyl)piperidin-4-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 22911495
4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 102604196
(2S)-4-(2-phenylethyl)-2-(pyridin-3-ylmethyl)morpholine
CID 124945226

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one (CID 68943810) is 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one is O=C(Cc1cccnc1)CN1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one?
The InChIKey is ALSZSFDTNHBZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c24-20(15-19-7-4-9-21-16-19)17-23-13-11-22(12-14-23)10-8-18-5-2-1-3-6-18/h1-7,9,16H,8,10-15,17H2.
What are the key properties of 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one?
1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one has a molecular weight of 323.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 68943810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).