1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C14H23NO5 — CID 104765879

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCOC1(CN2C(=O)CC(C)C(C(=O)O)C2C)CCOC1
InChIInChI=1S/C14H23NO5/c1-9-6-11(16)15(10(2)12(9)13(17)18)7-14(19-3)4-5-20-8-14/h9-10,12H,4-8H2,1-3H3,(H,17,18)
InChIKeyZBRZNVSFJFFWIT-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.75
Rot. Bonds4

About 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 104765879) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID104765879
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCOC1(CN2C(=O)CC(C)C(C(=O)O)C2C)CCOC1
InChIInChI=1S/C14H23NO5/c1-9-6-11(16)15(10(2)12(9)13(17)18)7-14(19-3)4-5-20-8-14/h9-10,12H,4-8H2,1-3H3,(H,17,18)
InChIKeyZBRZNVSFJFFWIT-UHFFFAOYSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 104765879) is 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is COC1(CN2C(=O)CC(C)C(C(=O)O)C2C)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is ZBRZNVSFJFFWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-9-6-11(16)15(10(2)12(9)13(17)18)7-14(19-3)4-5-20-8-14/h9-10,12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 104765879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).