1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one

C15H27NO3 — CID 176576305

IUPAC1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one
SMILESCCC(=O)CCOC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-4-13(17)7-10-19-14-5-8-16(9-6-14)11-15(18)12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyJBOZXUAJWRSLPY-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.06
Rot. Bonds8

About 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one

1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one (PubChem CID 176576305) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one.

Molecular Properties

Compound Name1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one
PubChem CID176576305
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one
SMILESCCC(=O)CCOC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C15H27NO3/c1-4-13(17)7-10-19-14-5-8-16(9-6-14)11-15(18)12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyJBOZXUAJWRSLPY-UHFFFAOYSA-N
XLogP2.06
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one?
The IUPAC name of 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one (CID 176576305) is 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one.
What is the SMILES notation for 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one?
The canonical SMILES for 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one is CCC(=O)CCOC1CCN(CC(=O)C(C)C)CC1.
What is the InChIKey of 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one?
The InChIKey is JBOZXUAJWRSLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-13(17)7-10-19-14-5-8-16(9-6-14)11-15(18)12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one?
1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one has a molecular weight of 269.38 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-2-oxobutyl)piperidin-4-yl]oxypentan-3-one is sourced from PubChem (CID 176576305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).