1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one

C13H21NO3 — CID 126647900

IUPAC1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one
SMILESCC1CCC(CC(=O)N2CCC(=O)CC2)CO1
InChIInChI=1S/C13H21NO3/c1-10-2-3-11(9-17-10)8-13(16)14-6-4-12(15)5-7-14/h10-11H,2-9H2,1H3
InChIKeyNUVZKFBNSHJLNE-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.38
Rot. Bonds2

About 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one

1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one (PubChem CID 126647900) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one
PubChem CID126647900
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one
SMILESCC1CCC(CC(=O)N2CCC(=O)CC2)CO1
InChIInChI=1S/C13H21NO3/c1-10-2-3-11(9-17-10)8-13(16)14-6-4-12(15)5-7-14/h10-11H,2-9H2,1H3
InChIKeyNUVZKFBNSHJLNE-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one?
The IUPAC name of 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one (CID 126647900) is 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one is CC1CCC(CC(=O)N2CCC(=O)CC2)CO1.
What is the InChIKey of 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one?
The InChIKey is NUVZKFBNSHJLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10-2-3-11(9-17-10)8-13(16)14-6-4-12(15)5-7-14/h10-11H,2-9H2,1H3.
What are the key properties of 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one?
1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one has a molecular weight of 239.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methyloxan-3-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 126647900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).