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

C22H21N3O2 — CID 3399668

IUPAC(4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21N3O2/c26-22(25-16-14-24(15-17-25)21-8-4-5-13-23-21)18-9-11-20(12-10-18)27-19-6-2-1-3-7-19/h1-13H,14-17H2
InChIKeyHLPDWYVDDLDUIP-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.84
Rot. Bonds4

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

(4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3399668) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3399668
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H21N3O2/c26-22(25-16-14-24(15-17-25)21-8-4-5-13-23-21)18-9-11-20(12-10-18)27-19-6-2-1-3-7-19/h1-13H,14-17H2
InChIKeyHLPDWYVDDLDUIP-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

Analyze (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Vuf8504
CID 10247610
Amg-487
CID 24957182
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
CID 28761
4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
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
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3399668) is (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is HLPDWYVDDLDUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(25-16-14-24(15-17-25)21-8-4-5-13-23-21)18-9-11-20(12-10-18)27-19-6-2-1-3-7-19/h1-13H,14-17H2.
What are the key properties of (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(4-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 (4-phenoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3399668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).