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

C12H20N2O4 — CID 115102644

IUPAC4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid
SMILESCN1CCC(CN2C(=O)COCC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-13-4-2-9(3-5-13)6-14-10(12(16)17)7-18-8-11(14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyGUUHUTJBUVMKHR-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.36
Rot. Bonds3

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

4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid (PubChem CID 115102644) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid
PubChem CID115102644
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid
SMILESCN1CCC(CN2C(=O)COCC2C(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-13-4-2-9(3-5-13)6-14-10(12(16)17)7-18-8-11(14)15/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyGUUHUTJBUVMKHR-UHFFFAOYSA-N
XLogP-0.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-4-[(1-methylpiperidin-4-yl)methyl]morpholin-3-one
CID 115102637
5-oxo-4-(pyrrolidin-2-ylmethyl)morpholine-3-carboxylic acid
CID 115102725
4-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102665
1-[(4-methylcyclohexyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354754
5-oxo-4-phosphanylmorpholine-3-carboxylic acid
CID 20828180
ethane;(5R)-4-ethyl-5-(2-methylpropanoyl)morpholin-3-one
CID 176934944
5-oxo-4-(1-propan-2-ylpiperidin-4-yl)morpholine-3-carboxylic acid
CID 115102604
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
4-(1-ethylpiperidin-3-yl)-5-oxomorpholine-3-carboxylic acid
CID 115102666
3-(5-oxo-4-propylmorpholin-3-yl)propanoic acid
CID 115060552
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid (CID 115102644) is 4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid is CN1CCC(CN2C(=O)COCC2C(=O)O)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid?
The InChIKey is GUUHUTJBUVMKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-13-4-2-9(3-5-13)6-14-10(12(16)17)7-18-8-11(14)15/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid?
4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)methyl]-5-oxomorpholine-3-carboxylic acid is sourced from PubChem (CID 115102644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).