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

C18H27N3O2 — CID 1439327

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cccc(N2CCN(CC(=O)N3CCOCC3)CC2)c1C
InChIInChI=1S/C18H27N3O2/c1-15-4-3-5-17(16(15)2)20-8-6-19(7-9-20)14-18(22)21-10-12-23-13-11-21/h3-5H,6-14H2,1-2H3
InChIKeyUYPJIPJENAQETH-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.28
Rot. Bonds3

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

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 1439327) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID1439327
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cccc(N2CCN(CC(=O)N3CCOCC3)CC2)c1C
InChIInChI=1S/C18H27N3O2/c1-15-4-3-5-17(16(15)2)20-8-6-19(7-9-20)14-18(22)21-10-12-23-13-11-21/h3-5H,6-14H2,1-2H3
InChIKeyUYPJIPJENAQETH-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

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
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
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110688452
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
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-nitroethanone
CID 108814513
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile;hydrochloride
CID 108814619

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone (CID 1439327) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone is Cc1cccc(N2CCN(CC(=O)N3CCOCC3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is UYPJIPJENAQETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-4-3-5-17(16(15)2)20-8-6-19(7-9-20)14-18(22)21-10-12-23-13-11-21/h3-5H,6-14H2,1-2H3.
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-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 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 1439327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).