4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid

C13H22N2O5 — CID 106588001

IUPAC4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
SMILESCOCC1CCCN(C(=O)N2CCOCC2C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-19-8-10-3-2-4-14(7-10)13(18)15-5-6-20-9-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyHJHRWIPBOZUWMX-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.25
Rot. Bonds3

About 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid

4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid (PubChem CID 106588001) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
PubChem CID106588001
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid
SMILESCOCC1CCCN(C(=O)N2CCOCC2C(=O)O)C1
InChIInChI=1S/C13H22N2O5/c1-19-8-10-3-2-4-14(7-10)13(18)15-5-6-20-9-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyHJHRWIPBOZUWMX-UHFFFAOYSA-N
XLogP0.25
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 106588061
2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 104774795
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62691356
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]morpholine-3-carboxylic acid
CID 112626971
(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
CID 83104302
(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
CID 125151644
1-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 61408512
2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83095359
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
3-ethyl-1-[3-(methoxymethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 106588062

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid (CID 106588001) is 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid is COCC1CCCN(C(=O)N2CCOCC2C(=O)O)C1.
What is the InChIKey of 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is HJHRWIPBOZUWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-19-8-10-3-2-4-14(7-10)13(18)15-5-6-20-9-11(15)12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid?
4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 106588001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).