1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane

C26H50N2O4 — CID 161304756

IUPAC1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane
SMILESCC(C)C(=O)CCN1CCCCC1.CC(C)C(=O)CN1C(=O)CCC1=O.CCC.CCC
InChIInChI=1S/C11H21NO.C9H13NO3.2C3H8/c1-10(2)11(13)6-9-12-7-4-3-5-8-12;1-6(2)7(11)5-10-8(12)3-4-9(10)13;2*1-3-2/h10H,3-9H2,1-2H3;6H,3-5H2,1-2H3;2*3H2,1-2H3
InChIKeyVICFXYURMVIVBE-UHFFFAOYSA-N
MW454.70 g/mol
LogP5.28
Rot. Bonds7

About 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane

1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane (PubChem CID 161304756) has the molecular formula C26H50N2O4 and a molecular weight of 454.70 g/mol. Its IUPAC name is 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane.

Molecular Properties

Compound Name1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane
PubChem CID161304756
Molecular FormulaC26H50N2O4
Molecular Weight454.70 g/mol
Exact Mass454.38
IUPAC Name1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane
SMILESCC(C)C(=O)CCN1CCCCC1.CC(C)C(=O)CN1C(=O)CCC1=O.CCC.CCC
InChIInChI=1S/C11H21NO.C9H13NO3.2C3H8/c1-10(2)11(13)6-9-12-7-4-3-5-8-12;1-6(2)7(11)5-10-8(12)3-4-9(10)13;2*1-3-2/h10H,3-9H2,1-2H3;6H,3-5H2,1-2H3;2*3H2,1-2H3
InChIKeyVICFXYURMVIVBE-UHFFFAOYSA-N
XLogP5.28
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.70
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane with MolForge

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Related Compounds

1-(azetidin-1-yl)-4-methylpentan-3-one
CID 131213332
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione
CID 129291336
1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 141389881
4-methyl-1-(2-piperidin-1-ylethoxy)pentan-3-one
CID 176984393
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842
1-(2,5-dimethylidenepyrrolidin-1-yl)-3-methylbutan-2-one
CID 175632000
3-piperidin-1-ylpropanoyl chloride;hydrochloride
CID 87714675
methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;3-methyl-1-piperazin-1-ylbutan-2-one;3-methyl-1-piperidin-1-ylbutan-2-one
CID 159657528
methyl 3-piperidin-1-ylpropanoate;hydrochloride
CID 22077061
N'-butan-2-yl-3-piperidin-1-ylpropanehydrazide
CID 4143849
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane?
The IUPAC name of 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane (CID 161304756) is 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane.
What is the SMILES notation for 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane?
The canonical SMILES for 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane is CC(C)C(=O)CCN1CCCCC1.CC(C)C(=O)CN1C(=O)CCC1=O.CCC.CCC.
What is the InChIKey of 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane?
The InChIKey is VICFXYURMVIVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C9H13NO3.2C3H8/c1-10(2)11(13)6-9-12-7-4-3-5-8-12;1-6(2)7(11)5-10-8(12)3-4-9(10)13;2*1-3-2/h10H,3-9H2,1-2H3;6H,3-5H2,1-2H3;2*3H2,1-2H3.
What are the key properties of 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane?
1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane has a molecular weight of 454.70 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-oxobutyl)pyrrolidine-2,5-dione;4-methyl-1-piperidin-1-ylpentan-3-one;propane is sourced from PubChem (CID 161304756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).