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

C18H27N3O2 — CID 110688048

IUPAC1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCOCC3)CC2)c1C
InChIInChI=1S/C18H27N3O2/c1-15-4-3-5-17(16(15)2)20-6-8-21(9-7-20)18(22)14-19-10-12-23-13-11-19/h3-5H,6-14H2,1-2H3
InChIKeyFROGMXCJNOZZIG-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.28
Rot. Bonds3

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

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 110688048) 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-4-ylethanone.

Molecular Properties

Compound Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID110688048
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CCOCC3)CC2)c1C
InChIInChI=1S/C18H27N3O2/c1-15-4-3-5-17(16(15)2)20-6-8-21(9-7-20)18(22)14-19-10-12-23-13-11-19/h3-5H,6-14H2,1-2H3
InChIKeyFROGMXCJNOZZIG-UHFFFAOYSA-N
XLogP1.28
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-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-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 1439327
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 46056295
4-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]piperazine-1-carbaldehyde
CID 108995753
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4188285
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
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile;hydrochloride
CID 108814619
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-4-ylethanone?
The IUPAC name of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone (CID 110688048) is 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone is Cc1cccc(N2CCN(C(=O)CN3CCOCC3)CC2)c1C.
What is the InChIKey of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is FROGMXCJNOZZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-4-3-5-17(16(15)2)20-6-8-21(9-7-20)18(22)14-19-10-12-23-13-11-19/h3-5H,6-14H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 317.43 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 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-4-ylethanone is sourced from PubChem (CID 110688048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).