3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid

C13H22N2O4 — CID 107068760

IUPAC3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CC2CNCCO2)C1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-3-2-5-15(12(9)13(17)18)11(16)7-10-8-14-4-6-19-10/h9-10,12,14H,2-8H2,1H3,(H,17,18)
InChIKeyHZWSMEFBKROXIP-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.08
Rot. Bonds3

About 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid

3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid (PubChem CID 107068760) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid
PubChem CID107068760
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CC2CNCCO2)C1C(=O)O
InChIInChI=1S/C13H22N2O4/c1-9-3-2-5-15(12(9)13(17)18)11(16)7-10-8-14-4-6-19-10/h9-10,12,14H,2-8H2,1H3,(H,17,18)
InChIKeyHZWSMEFBKROXIP-UHFFFAOYSA-N
XLogP0.08
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone
CID 102726183
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 66428532
1-(2-morpholin-2-ylacetyl)piperidine-2-carboxamide;hydrochloride
CID 119685230
N-cyclopropyl-1-(2-morpholin-2-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119728140
ethyl 1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylate
CID 66427655
2-morpholin-2-yl-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114593052
1-(azepan-1-yl)-2-morpholin-2-ylethanone
CID 66433560
2-methyl-3-(2-morpholin-2-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 66426625
3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 107068807
3-methyl-4-(2-morpholin-2-ylacetyl)piperazin-2-one;hydrochloride
CID 119760161
1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
1-(4-hydroxy-4-methylazepan-1-yl)-2-morpholin-2-ylethanone
CID 107404309

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid (CID 107068760) is 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid is CC1CCCN(C(=O)CC2CNCCO2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid?
The InChIKey is HZWSMEFBKROXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-3-2-5-15(12(9)13(17)18)11(16)7-10-8-14-4-6-19-10/h9-10,12,14H,2-8H2,1H3,(H,17,18).
What are the key properties of 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid?
3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107068760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).