1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid

C14H23NO4 — CID 122112709

IUPAC1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C)C(C(=O)N2CC(C(=O)O)CCC2C)O1
InChIInChI=1S/C14H23NO4/c1-8-6-10(3)19-12(8)13(16)15-7-11(14(17)18)5-4-9(15)2/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyAFTKOYBYFJERJN-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds2

About 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122112709) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122112709
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C)C(C(=O)N2CC(C(=O)O)CCC2C)O1
InChIInChI=1S/C14H23NO4/c1-8-6-10(3)19-12(8)13(16)15-7-11(14(17)18)5-4-9(15)2/h8-12H,4-7H2,1-3H3,(H,17,18)
InChIKeyAFTKOYBYFJERJN-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083654
3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550866
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640
1-[2-(3,5-dichlorophenyl)cyclopropanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113476
1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113722
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889
(6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 145074333
1-(3,5-dimethylfuran-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113561
1-(2,5-dimethylfuran-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083917
1-(furan-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083728
6-methyl-1-(2-methyloxan-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 122104610
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122112709) is 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid is CC1CC(C)C(C(=O)N2CC(C(=O)O)CCC2C)O1.
What is the InChIKey of 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is AFTKOYBYFJERJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-8-6-10(3)19-12(8)13(16)15-7-11(14(17)18)5-4-9(15)2/h8-12H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122112709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).