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

C14H25NO3 — CID 176576355

IUPAC3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one
SMILESCCC(=O)CN1CCC(OCC(=O)C(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-4-12(16)9-15-7-5-13(6-8-15)18-10-14(17)11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyIXZPWQDHLQVTAR-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.67
Rot. Bonds7

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

3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one (PubChem CID 176576355) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one.

Molecular Properties

Compound Name3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one
PubChem CID176576355
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one
SMILESCCC(=O)CN1CCC(OCC(=O)C(C)C)CC1
InChIInChI=1S/C14H25NO3/c1-4-12(16)9-15-7-5-13(6-8-15)18-10-14(17)11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyIXZPWQDHLQVTAR-UHFFFAOYSA-N
XLogP1.67
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one?
The IUPAC name of 3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one (CID 176576355) is 3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one.
What is the SMILES notation for 3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one?
The canonical SMILES for 3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one is CCC(=O)CN1CCC(OCC(=O)C(C)C)CC1.
What is the InChIKey of 3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one?
The InChIKey is IXZPWQDHLQVTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-12(16)9-15-7-5-13(6-8-15)18-10-14(17)11(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one?
3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one has a molecular weight of 255.36 g/mol, XLogP of 1.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(2-oxobutyl)piperidin-4-yl]oxybutan-2-one is sourced from PubChem (CID 176576355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).