1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one

C22H21N3O2 — CID 54227295

IUPAC1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one
SMILESO=C1CN(c2ccncc2)CCN1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c26-22-16-24(19-10-12-23-13-11-19)14-15-25(22)20-6-8-21(9-7-20)27-17-18-4-2-1-3-5-18/h1-13H,14-17H2
InChIKeyQGTFVWFCAFOEDO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.51
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one

1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one (PubChem CID 54227295) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one
PubChem CID54227295
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one
SMILESO=C1CN(c2ccncc2)CCN1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O2/c26-22-16-24(19-10-12-23-13-11-19)14-15-25(22)20-6-8-21(9-7-20)27-17-18-4-2-1-3-5-18/h1-13H,14-17H2
InChIKeyQGTFVWFCAFOEDO-UHFFFAOYSA-N
XLogP3.51
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 3-oxo-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate
CID 69147830
5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
2-[4-(pyridin-4-ylmethoxy)phenyl]isoindole-1,3-dione
CID 168518179
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
CID 141321137
1-[4-(phenylmethoxymethoxy)phenyl]pyrrolidine-2,4-dione
CID 67449340
2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 58117978
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
CID 23821636
2-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]benzonitrile
CID 67626629
1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione
CID 57032337
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
1-[3-(4-benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one (CID 54227295) is 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one is O=C1CN(c2ccncc2)CCN1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one?
The InChIKey is QGTFVWFCAFOEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22-16-24(19-10-12-23-13-11-19)14-15-25(22)20-6-8-21(9-7-20)27-17-18-4-2-1-3-5-18/h1-13H,14-17H2.
What are the key properties of 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one?
1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one is sourced from PubChem (CID 54227295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).