2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one

C25H48N4O4 — CID 159277060

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O.C8H15NO2.C8H15NO/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)8(10)9-3-5-11-6-4-9;1-7(2)8(10)9-5-3-4-6-9/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyKYLCZHDMVKIZRN-UHFFFAOYSA-N
MW468.68 g/mol
LogP2.18
Rot. Bonds3

About 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one

2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 159277060) has the molecular formula C25H48N4O4 and a molecular weight of 468.68 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID159277060
Molecular FormulaC25H48N4O4
Molecular Weight468.68 g/mol
Exact Mass468.37
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H18N2O.C8H15NO2.C8H15NO/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)8(10)9-3-5-11-6-4-9;1-7(2)8(10)9-5-3-4-6-9/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyKYLCZHDMVKIZRN-UHFFFAOYSA-N
XLogP2.18
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.68
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methylpiperazin-1-yl)butan-1-one;1-morpholin-4-ylbutan-1-one
CID 53649119
1-[2-(Pyrrolidin-2-one-1-yl) acetyl]-4-(morpholinocarbonylmethyl) piperazine
CID 54232870
2-Methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
CID 89771623
3-Methyl-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butan-1-one
CID 113073655
Ethane;2-methyl-1-(4-methyl-4,7-diazaspiro[2.5]octan-7-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one
CID 156707835
1,4-Dimethylpiperazine;1,4-dimethylpiperazin-2-one;ethane;methane;4-methylmorpholine;1-methylpyrrolidine
CID 157074834
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide
CID 157393013
Methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one
CID 157443912
N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one
CID 158320092
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158381115
1-Morpholin-4-ylethanone;1-piperidin-1-ylethanone;1-pyrrolidin-1-ylethanone
CID 158454355
Methane;1-(2-methoxyethyl)-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)pyrrolidine
CID 158580646

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one (CID 159277060) is 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one is CC(C)C(=O)N1CCCC1.CC(C)C(=O)N1CCN(C)CC1.CC(C)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KYLCZHDMVKIZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C8H15NO2.C8H15NO/c1-8(2)9(12)11-6-4-10(3)5-7-11;1-7(2)8(10)9-3-5-11-6-4-9;1-7(2)8(10)9-5-3-4-6-9/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one?
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 468.68 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 159277060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).