3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one

C14H25NO3 — CID 103020595

IUPAC3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCCC1CC(C)=O
InChIInChI=1S/C14H25NO3/c1-11(16)9-12-7-5-6-8-15(12)13(17)10-14(2,3)18-4/h12H,5-10H2,1-4H3
InChIKeySTOAUXBHZRVWDP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.16
Rot. Bonds5

About 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one

3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one (PubChem CID 103020595) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
PubChem CID103020595
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCCC1CC(C)=O
InChIInChI=1S/C14H25NO3/c1-11(16)9-12-7-5-6-8-15(12)13(17)10-14(2,3)18-4/h12H,5-10H2,1-4H3
InChIKeySTOAUXBHZRVWDP-UHFFFAOYSA-N
XLogP2.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one (CID 103020595) is 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one is COC(C)(C)CC(=O)N1CCCCC1CC(C)=O.
What is the InChIKey of 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one?
The InChIKey is STOAUXBHZRVWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-11(16)9-12-7-5-6-8-15(12)13(17)10-14(2,3)18-4/h12H,5-10H2,1-4H3.
What are the key properties of 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one?
3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one has a molecular weight of 255.36 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-[2-(2-oxopropyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 103020595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).