2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C19H23N3O2 — CID 934031

IUPAC2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C19H23N3O2/c1-15-6-5-7-17(16(15)2)24-14-19(23)22-12-10-21(11-13-22)18-8-3-4-9-20-18/h3-9H,10-14H2,1-2H3
InChIKeySXMCBSZLEONIPU-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.43
Rot. Bonds4

About 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 934031) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID934031
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cccc(OCC(=O)N2CCN(c3ccccn3)CC2)c1C
InChIInChI=1S/C19H23N3O2/c1-15-6-5-7-17(16(15)2)24-14-19(23)22-12-10-21(11-13-22)18-8-3-4-9-20-18/h3-9H,10-14H2,1-2H3
InChIKeySXMCBSZLEONIPU-UHFFFAOYSA-N
XLogP2.43
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
2-(2,3-dimethylphenoxy)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethanone
CID 17013544
1-[4-[2-(2,3-dimethylphenoxy)acetyl]piperazin-1-yl]propan-1-one
CID 108535733
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 2953997
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 35376587
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557840

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 934031) is 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is Cc1cccc(OCC(=O)N2CCN(c3ccccn3)CC2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is SXMCBSZLEONIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-6-5-7-17(16(15)2)24-14-19(23)22-12-10-21(11-13-22)18-8-3-4-9-20-18/h3-9H,10-14H2,1-2H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 934031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).