2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one

C18H27N3O2 — CID 113079086

IUPAC2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-15(2)18(22)21-9-7-19(8-10-21)16-5-3-4-6-17(16)20-11-13-23-14-12-20/h3-6,15H,7-14H2,1-2H3
InChIKeyNRJINTIYXVOFLE-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.83
Rot. Bonds3

About 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 113079086) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
PubChem CID113079086
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C18H27N3O2/c1-15(2)18(22)21-9-7-19(8-10-21)16-5-3-4-6-17(16)20-11-13-23-14-12-20/h3-6,15H,7-14H2,1-2H3
InChIKeyNRJINTIYXVOFLE-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
CID 118526836
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2978884
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
2-(4-chlorophenyl)-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]ethanone
CID 113079110
N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111814
(1R)-1-(2-morpholin-4-ylphenyl)ethanol
CID 78939110
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
2-chloro-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54592434
1-[4-(4-aminophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 936774
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one (CID 113079086) is 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(c2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is NRJINTIYXVOFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15(2)18(22)21-9-7-19(8-10-21)16-5-3-4-6-17(16)20-11-13-23-14-12-20/h3-6,15H,7-14H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 317.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-morpholin-4-ylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 113079086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).