3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one

C13H21NO3 — CID 114499951

IUPAC3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one
SMILESCC1CN(C(=O)CC2CCCCO2)CCC1=O
InChIInChI=1S/C13H21NO3/c1-10-9-14(6-5-12(10)15)13(16)8-11-4-2-3-7-17-11/h10-11H,2-9H2,1H3
InChIKeyVVDFHUCEPSYXSR-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.38
Rot. Bonds2

About 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one

3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one (PubChem CID 114499951) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one
PubChem CID114499951
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one
SMILESCC1CN(C(=O)CC2CCCCO2)CCC1=O
InChIInChI=1S/C13H21NO3/c1-10-9-14(6-5-12(10)15)13(16)8-11-4-2-3-7-17-11/h10-11H,2-9H2,1H3
InChIKeyVVDFHUCEPSYXSR-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

Analyze 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-morpholin-4-yl-2-(oxan-2-yl)propan-1-one
CID 134964643
1-(3-Ethylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 68260655
1-(3-Methylpiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 89616577
1-(3-Methyloxan-2-yl)-2-piperidin-1-ylethane-1,2-dione
CID 122544657
1-[2-(6-Methyloxan-3-yl)acetyl]piperidin-4-one
CID 126647900
2-[(4R)-4-methyloxan-2-yl]-1-pyrrolidin-1-ylethanone
CID 137411548
2-(Oxan-2-yl)-1-piperidin-1-ylethanone
CID 14294055
1-[1-(Oxane-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548735
1-Morpholin-4-yl-2-(oxan-2-yl)ethanone
CID 80172775
1-(4-Methylpiperazin-1-yl)-2-(oxan-2-yl)ethanone
CID 80172866
N,N-diethyl-2-(oxan-2-yl)acetamide
CID 80173070
Ethyl 1-[2-(oxan-2-yl)acetyl]piperidine-3-carboxylate
CID 80173259

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one?
The IUPAC name of 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one (CID 114499951) is 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one.
What is the SMILES notation for 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one?
The canonical SMILES for 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one is CC1CN(C(=O)CC2CCCCO2)CCC1=O.
What is the InChIKey of 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one?
The InChIKey is VVDFHUCEPSYXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10-9-14(6-5-12(10)15)13(16)8-11-4-2-3-7-17-11/h10-11H,2-9H2,1H3.
What are the key properties of 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one?
3-methyl-1-[2-(oxan-2-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 3-methyl-1-[2-(oxan-2-yl)acetyl]piperidin-4-one is sourced from PubChem (CID 114499951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).