2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C19H29N3O2 — CID 134007332

IUPAC2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CC(C)OCC3C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-15-5-4-6-18(11-15)20-7-9-21(10-8-20)19(23)13-22-12-17(3)24-14-16(22)2/h4-6,11,16-17H,7-10,12-14H2,1-3H3
InChIKeyUBQYWDMWNSWGBD-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.75
Rot. Bonds3

About 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone

2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 134007332) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID134007332
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(C(=O)CN3CC(C)OCC3C)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-15-5-4-6-18(11-15)20-7-9-21(10-8-20)19(23)13-22-12-17(3)24-14-16(22)2/h4-6,11,16-17H,7-10,12-14H2,1-3H3
InChIKeyUBQYWDMWNSWGBD-UHFFFAOYSA-N
XLogP1.75
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 42927291
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 109004012
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-(3,5-dimethylpiperidin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108520633
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51339468
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110854224
6-cyclopropyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122278600
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 134007332) is 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(C(=O)CN3CC(C)OCC3C)CC2)c1.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is UBQYWDMWNSWGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-5-4-6-18(11-15)20-7-9-21(10-8-20)19(23)13-22-12-17(3)24-14-16(22)2/h4-6,11,16-17H,7-10,12-14H2,1-3H3.
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 134007332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).