N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

C26H52N4O4 — CID 161226401

IUPACN-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N(C)CCN(C)C.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H20N2O.C9H17NO.C8H15NO2/c1-8(2)9(12)11(5)7-6-10(3)4;1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-3-5-11-6-4-9/h8H,6-7H2,1-5H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyUYEJXVRWYARRBF-UHFFFAOYSA-N
MW484.73 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one

N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (PubChem CID 161226401) has the molecular formula C26H52N4O4 and a molecular weight of 484.73 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
PubChem CID161226401
Molecular FormulaC26H52N4O4
Molecular Weight484.73 g/mol
Exact Mass484.40
IUPAC NameN-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
SMILESCC(C)C(=O)N(C)CCN(C)C.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCOCC1
InChIInChI=1S/C9H20N2O.C9H17NO.C8H15NO2/c1-8(2)9(12)11(5)7-6-10(3)4;1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-3-5-11-6-4-9/h8H,6-7H2,1-5H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyUYEJXVRWYARRBF-UHFFFAOYSA-N
XLogP2.82
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.73
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-Ethoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53594420
3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
1-(3-Methylpiperidin-1-yl)-2-morpholinoethanone
CID 57600096
2-(3,5-Dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone
CID 3229435
2-Methyl-1-(4-morpholin-4-ylpiperidin-1-yl)propan-1-one
CID 58333431
N,N-bis(2-methyl-4-morpholin-4-ylbutyl)acetamide
CID 10595293
1-(4-Methylpiperidin-1-yl)-2-morpholin-4-ylethanone
CID 17634916
2-(4-Methylpiperidin-1-yl)-1-morpholin-4-ylethanone
CID 52139490
1-(4-Methylpiperazin-1-yl)butan-1-one;1-morpholin-4-ylbutan-1-one
CID 53649119
2-Methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 58333366
3-Methyl-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 58333434
1-[4-(Morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one (CID 161226401) is N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is CC(C)C(=O)N(C)CCN(C)C.CC(C)C(=O)N1CCCCC1.CC(C)C(=O)N1CCOCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is UYEJXVRWYARRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.C9H17NO.C8H15NO2/c1-8(2)9(12)11(5)7-6-10(3)4;1-8(2)9(11)10-6-4-3-5-7-10;1-7(2)8(10)9-3-5-11-6-4-9/h8H,6-7H2,1-5H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one?
N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 484.73 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 161226401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).