6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid

C16H27NO3 — CID 103968342

IUPAC6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
SMILESCC1(C)CC(N2CC(C(=O)O)CCC2=O)CC(C)(C)C1
InChIInChI=1S/C16H27NO3/c1-15(2)7-12(8-16(3,4)10-15)17-9-11(14(19)20)5-6-13(17)18/h11-12H,5-10H2,1-4H3,(H,19,20)
InChIKeyYMOCEWOFYNLAHI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.91
Rot. Bonds2

About 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid

6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid (PubChem CID 103968342) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
PubChem CID103968342
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
SMILESCC1(C)CC(N2CC(C(=O)O)CCC2=O)CC(C)(C)C1
InChIInChI=1S/C16H27NO3/c1-15(2)7-12(8-16(3,4)10-15)17-9-11(14(19)20)5-6-13(17)18/h11-12H,5-10H2,1-4H3,(H,19,20)
InChIKeyYMOCEWOFYNLAHI-UHFFFAOYSA-N
XLogP2.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid (CID 103968342) is 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid is CC1(C)CC(N2CC(C(=O)O)CCC2=O)CC(C)(C)C1.
What is the InChIKey of 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid?
The InChIKey is YMOCEWOFYNLAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-15(2)7-12(8-16(3,4)10-15)17-9-11(14(19)20)5-6-13(17)18/h11-12H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid?
6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 103968342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).