1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone

C18H27N3O2 — CID 119828406

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone
SMILESCc1cccc(N2CCN(C(=O)CC3CNCCO3)CC2)c1C
InChIInChI=1S/C18H27N3O2/c1-14-4-3-5-17(15(14)2)20-7-9-21(10-8-20)18(22)12-16-13-19-6-11-23-16/h3-5,16,19H,6-13H2,1-2H3
InChIKeyZNQJXSBKOWGJDJ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.33
Rot. Bonds3

About 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone (PubChem CID 119828406) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone
PubChem CID119828406
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone
SMILESCc1cccc(N2CCN(C(=O)CC3CNCCO3)CC2)c1C
InChIInChI=1S/C18H27N3O2/c1-14-4-3-5-17(15(14)2)20-7-9-21(10-8-20)18(22)12-16-13-19-6-11-23-16/h3-5,16,19H,6-13H2,1-2H3
InChIKeyZNQJXSBKOWGJDJ-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone 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

2-[(2R)-morpholin-2-yl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 99936481
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(oxan-3-yl)ethanone
CID 110854402
1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine
CID 126441523
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70711639
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119828393
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119828392
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-nitroethanone
CID 108814513

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone (CID 119828406) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone is Cc1cccc(N2CCN(C(=O)CC3CNCCO3)CC2)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone?
The InChIKey is ZNQJXSBKOWGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-4-3-5-17(15(14)2)20-7-9-21(10-8-20)18(22)12-16-13-19-6-11-23-16/h3-5,16,19H,6-13H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone has a molecular weight of 317.43 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-2-ylethanone is sourced from PubChem (CID 119828406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).