2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid

C12H20N2O4 — CID 106742878

IUPAC2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)C1COCCN1
InChIInChI=1S/C12H20N2O4/c1-8-6-9(12(16)17)2-4-14(8)11(15)10-7-18-5-3-13-10/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyKFJILOXBTOURIM-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.31
Rot. Bonds2

About 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid

2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 106742878) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID106742878
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)C1COCCN1
InChIInChI=1S/C12H20N2O4/c1-8-6-9(12(16)17)2-4-14(8)11(15)10-7-18-5-3-13-10/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyKFJILOXBTOURIM-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 96998627
(3-benzyl-2-methylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119806905
(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-morpholin-3-ylmethanone
CID 79937946
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
2-methyl-1-[(2R)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 106742253
ethane;morpholine-3-carboxylic acid
CID 144576497
(3S)-morpholine-3-carboxylic acid;hydrochloride
CID 42614332
(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-morpholin-3-ylmethanone;hydrochloride
CID 119796376
morpholin-3-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103812428
1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106742867
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid (CID 106742878) is 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)C1COCCN1.
What is the InChIKey of 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is KFJILOXBTOURIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-6-9(12(16)17)2-4-14(8)11(15)10-7-18-5-3-13-10/h8-10,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid?
2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106742878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).