3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one

C15H23N3O — CID 109017255

IUPAC3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCN(C)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-16-10-12-18(13-11-16)15(19)8-9-17(2)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyGAXUNEXIUXJZOZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds4

About 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one

3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 109017255) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID109017255
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCN(C)c2ccccc2)CC1
InChIInChI=1S/C15H23N3O/c1-16-10-12-18(13-11-16)15(19)8-9-17(2)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3
InChIKeyGAXUNEXIUXJZOZ-UHFFFAOYSA-N
XLogP1.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(N-methylanilino)propan-1-one
CID 109024426
3-(N-methylanilino)-1-(4-pyrrolidin-3-ylpiperazin-1-yl)propan-1-one
CID 126813279
3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017239
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-phenylacetamide
CID 113123354
1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 99788111
2-[N-(dimethylsulfamoyl)anilino]-1-(4-methylpiperazin-1-yl)ethanone
CID 2711978
N-methyl-3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 110856844
N-methyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 170620451
N-methyl-2-(4-methylpiperazin-1-yl)-2-oxo-N-phenylacetamide
CID 47336148
ethyl 2-[benzyl-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]amino]acetate
CID 99788120
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one (CID 109017255) is 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCN(C)c2ccccc2)CC1.
What is the InChIKey of 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is GAXUNEXIUXJZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-10-12-18(13-11-16)15(19)8-9-17(2)14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3.
What are the key properties of 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one?
3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109017255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).