2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone

C18H21N3O2 — CID 66796621

IUPAC2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H21N3O2/c22-18(11-15-5-2-1-3-6-15)21-10-9-20-12-16(21)14-23-17-7-4-8-19-13-17/h1-8,13,16,20H,9-12,14H2
InChIKeyQBEMNXDITWAPCB-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.50
Rot. Bonds5

About 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone

2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone (PubChem CID 66796621) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
PubChem CID66796621
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCNCC1COc1cccnc1
InChIInChI=1S/C18H21N3O2/c22-18(11-15-5-2-1-3-6-15)21-10-9-20-12-16(21)14-23-17-7-4-8-19-13-17/h1-8,13,16,20H,9-12,14H2
InChIKeyQBEMNXDITWAPCB-UHFFFAOYSA-N
XLogP1.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone (CID 66796621) is 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCNCC1COc1cccnc1.
What is the InChIKey of 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone?
The InChIKey is QBEMNXDITWAPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(11-15-5-2-1-3-6-15)21-10-9-20-12-16(21)14-23-17-7-4-8-19-13-17/h1-8,13,16,20H,9-12,14H2.
What are the key properties of 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone?
2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone has a molecular weight of 311.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 66796621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).