1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid

C14H24N2O4 — CID 60702456

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
SMILESCC1CN(CC(=O)N2CCC(C(=O)O)CC2)CC(C)O1
InChIInChI=1S/C14H24N2O4/c1-10-7-15(8-11(2)20-10)9-13(17)16-5-3-12(4-6-16)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyWCUZKSWSZHTIET-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.42
Rot. Bonds3

About 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 60702456) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID60702456
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
SMILESCC1CN(CC(=O)N2CCC(C(=O)O)CC2)CC(C)O1
InChIInChI=1S/C14H24N2O4/c1-10-7-15(8-11(2)20-10)9-13(17)16-5-3-12(4-6-16)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)
InChIKeyWCUZKSWSZHTIET-UHFFFAOYSA-N
XLogP0.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
1-(2,6-dimethylmorpholin-4-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282275
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
2-(4-aminopiperidin-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43556595
1-(2,6-dimethylmorpholin-4-yl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 102935864
1-[2-[4-(methoxymethyl)piperidin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 63972132
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60768713
1-[2-(3,5-dioxopiperazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 66084548
1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 55100670
1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119354016
(3S,4S)-1-[2-(azepan-1-yl)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid (CID 60702456) is 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid is CC1CN(CC(=O)N2CCC(C(=O)O)CC2)CC(C)O1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is WCUZKSWSZHTIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-7-15(8-11(2)20-10)9-13(17)16-5-3-12(4-6-16)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 60702456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).