4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid

C14H24N2O4 — CID 114594424

IUPAC4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid
SMILESCC1CC(C)C(C)N(C(=O)N2CCOCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-9-6-10(2)11(3)16(7-9)14(19)15-4-5-20-8-12(15)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyADWRRKOYXKUMAV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.26
Rot. Bonds1

About 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid

4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid (PubChem CID 114594424) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid
PubChem CID114594424
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid
SMILESCC1CC(C)C(C)N(C(=O)N2CCOCC2C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-9-6-10(2)11(3)16(7-9)14(19)15-4-5-20-8-12(15)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18)
InChIKeyADWRRKOYXKUMAV-UHFFFAOYSA-N
XLogP1.26
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939753
(2S)-4-hydroxy-1-(2,3,5-trimethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104939777
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid
CID 112626971
2-oxo-2-(2,3,5-trimethylpiperidin-1-yl)acetic acid
CID 114594573
(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104876902
4-(dimethylaminocarbamoyl)morpholine-3-carboxylic acid
CID 83017669
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
(3S)-4-[(1R,2R)-2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 125133187
4-[2-(2-methylphenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119216599
4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
CID 106588001
4-[(2R)-2-aminopentanoyl]morpholine-3-carboxylic acid
CID 103871081
2-[1-(2,3,5-trimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 114594420

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid (CID 114594424) is 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid is CC1CC(C)C(C)N(C(=O)N2CCOCC2C(=O)O)C1.
What is the InChIKey of 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is ADWRRKOYXKUMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9-6-10(2)11(3)16(7-9)14(19)15-4-5-20-8-12(15)13(17)18/h9-12H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid?
4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5-trimethylpiperidine-1-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 114594424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).