(3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C22H21N3O2 — CID 3256126

IUPAC(3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21N3O2/c26-22(25-15-13-24(14-16-25)21-11-4-5-12-23-21)18-7-6-10-20(17-18)27-19-8-2-1-3-9-19/h1-12,17H,13-16H2
InChIKeyUTASMKMLSUVAAD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.84
Rot. Bonds4

About (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3256126) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3256126
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21N3O2/c26-22(25-15-13-24(14-16-25)21-11-4-5-12-23-21)18-7-6-10-20(17-18)27-19-8-2-1-3-9-19/h1-12,17H,13-16H2
InChIKeyUTASMKMLSUVAAD-UHFFFAOYSA-N
XLogP3.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 4658
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
N-(4-phenoxyphenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide
CID 16040289
Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
CID 28761
N-Methyl-N-((2-(1-(2-(methylamino)ethyl)piperidin-4-yl)pyridin-4-yl)methyl)-3-phenoxybenzamide
CID 122707126
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956
6-amino-5-methyl-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 71544354
6-amino-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]-phenyl]methylene]cyclohexyl]pyridine-3-carboxamide
CID 89462922
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
4-(18F)fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3-methyl-N-pyridin-2-yl(18F)benzamide
CID 449647

Frequently Asked Questions

What is the IUPAC name of (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3256126) is (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is UTASMKMLSUVAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(25-15-13-24(14-16-25)21-11-4-5-12-23-21)18-7-6-10-20(17-18)27-19-8-2-1-3-9-19/h1-12,17H,13-16H2.
What are the key properties of (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 359.43 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3256126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).