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

C12H20N2O4 — CID 55177180

IUPAC4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O4/c1-12(10(15)16)2-4-13(5-3-12)11(17)14-6-8-18-9-7-14/h2-9H2,1H3,(H,15,16)
InChIKeyLNHHRCCYHGQCJJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.63
Rot. Bonds1

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

4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 55177180) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID55177180
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O4/c1-12(10(15)16)2-4-13(5-3-12)11(17)14-6-8-18-9-7-14/h2-9H2,1H3,(H,15,16)
InChIKeyLNHHRCCYHGQCJJ-UHFFFAOYSA-N
XLogP0.63
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid (CID 55177180) is 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is LNHHRCCYHGQCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(10(15)16)2-4-13(5-3-12)11(17)14-6-8-18-9-7-14/h2-9H2,1H3,(H,15,16).
What are the key properties of 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid?
4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(morpholine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 55177180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).