4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid

C11H18N2O4 — CID 115102665

IUPAC4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
SMILESCN1CCCC(N2C(=O)COCC2C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-12-4-2-3-8(5-12)13-9(11(15)16)6-17-7-10(13)14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyHMDZCVQBBGMYPU-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.61
Rot. Bonds2

About 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid

4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid (PubChem CID 115102665) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
PubChem CID115102665
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
SMILESCN1CCCC(N2C(=O)COCC2C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-12-4-2-3-8(5-12)13-9(11(15)16)6-17-7-10(13)14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyHMDZCVQBBGMYPU-UHFFFAOYSA-N
XLogP-0.61
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102666
5-(aminomethyl)-4-(1-methylpiperidin-3-yl)morpholin-3-one
CID 115102651
5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid
CID 115102604
4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid
CID 115102644
5-(aminomethyl)-4-(1-methylpyrrolidin-3-yl)morpholin-3-one
CID 115102568
4-(1-ethylpiperidin-3-yl)-5-(hydroxymethyl)morpholin-3-one
CID 115102659
5-oxo-4-phosphanylmorpholine-3-carboxylic acid
CID 20828180
4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 71877650
(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
CID 124857097
(2S)-1-(1-methylpyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 83618259
(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid
CID 67462914
(2S)-1-cyclopentyl-5-oxopyrrolidine-2-carboxylic acid
CID 67459886

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid?
The IUPAC name of 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid (CID 115102665) is 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid is CN1CCCC(N2C(=O)COCC2C(=O)O)C1.
What is the InChIKey of 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid?
The InChIKey is HMDZCVQBBGMYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-12-4-2-3-8(5-12)13-9(11(15)16)6-17-7-10(13)14/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid?
4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid is sourced from PubChem (CID 115102665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).