6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one

C13H21NO3 — CID 115269494

IUPAC6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)C1CCOCC1
InChIInChI=1S/C13H21NO3/c1-13(2)6-3-11(15)9-14(13)12(16)10-4-7-17-8-5-10/h10H,3-9H2,1-2H3
InChIKeyVDKBIYXDAOJFIS-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.38
Rot. Bonds1

About 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one

6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one (PubChem CID 115269494) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one.

Molecular Properties

Compound Name6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one
PubChem CID115269494
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one
SMILESCC1(C)CCC(=O)CN1C(=O)C1CCOCC1
InChIInChI=1S/C13H21NO3/c1-13(2)6-3-11(15)9-14(13)12(16)10-4-7-17-8-5-10/h10H,3-9H2,1-2H3
InChIKeyVDKBIYXDAOJFIS-UHFFFAOYSA-N
XLogP1.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
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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Related Compounds

1-(cyclopentanecarbonyl)-6,6-dimethylpiperidin-3-one
CID 115276279
2,2-dimethyl-1-(oxane-4-carbonyl)pyrrolidin-3-one
CID 112533289
3,3-dimethyl-4-(oxane-4-carbonyl)piperazin-2-one
CID 63361975
1-butanoyl-6,6-dimethylpiperidin-3-one
CID 115269445
6,6-dimethyl-1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-3-one
CID 115276298
(6R)-1-methyl-8-(oxane-4-carbonyl)-1,8-diazaspiro[5.5]undecan-2-one
CID 97373256
3,3-dimethyl-4-(oxane-3-carbonyl)piperazine-2,6-dione
CID 66075144
1-(4-ethylbenzoyl)-6,6-dimethylpiperidin-3-one
CID 115276264
N'-hydroxy-4-methyl-1-(oxane-4-carbonyl)piperidine-4-carboximidamide
CID 107162353
(4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(oxan-4-yl)methanone
CID 66241690
(2S)-2-methyl-5-oxopiperidine-1,2-dicarboxylic acid
CID 91509237
1-(5-bromothiophene-2-carbonyl)-6,6-dimethylpiperidin-3-one
CID 115276268

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one?
The IUPAC name of 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one (CID 115269494) is 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one.
What is the SMILES notation for 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one?
The canonical SMILES for 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one is CC1(C)CCC(=O)CN1C(=O)C1CCOCC1.
What is the InChIKey of 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one?
The InChIKey is VDKBIYXDAOJFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2)6-3-11(15)9-14(13)12(16)10-4-7-17-8-5-10/h10H,3-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one?
6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one has a molecular weight of 239.31 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(oxane-4-carbonyl)piperidin-3-one is sourced from PubChem (CID 115269494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).