1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid

C13H22N2O4 — CID 55100670

IUPAC1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
SMILESCC1COCCN1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-10-9-19-7-6-15(10)8-12(16)14-4-2-11(3-5-14)13(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyJNRPLSGZKHCUAA-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.03
Rot. Bonds3

About 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid

1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid (PubChem CID 55100670) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
PubChem CID55100670
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
SMILESCC1COCCN1CC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H22N2O4/c1-10-9-19-7-6-15(10)8-12(16)14-4-2-11(3-5-14)13(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyJNRPLSGZKHCUAA-UHFFFAOYSA-N
XLogP0.03
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carbohydrazide
CID 63571429
1-[2-(2,6-dimethylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 60702456
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 63032240
2-[(3-methylmorpholin-4-yl)methyl]prop-2-ene-1-thiol
CID 103073288
(2R)-2-[4-[2-[(3R)-3-methylmorpholin-4-yl]acetyl]piperazin-1-yl]-2-thiophen-2-ylacetonitrile
CID 124845882
1-[2-(2,5-dimethylpyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119354016
2-(2-methylpiperazin-1-yl)-1-morpholin-4-ylethanone;hydrochloride
CID 119916547
1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441474
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
1-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 62658566
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid (CID 55100670) is 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid is CC1COCCN1CC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid?
The InChIKey is JNRPLSGZKHCUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10-9-19-7-6-15(10)8-12(16)14-4-2-11(3-5-14)13(17)18/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid?
1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylmorpholin-4-yl)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 55100670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).