1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid

C13H22N2O4 — CID 43385862

IUPAC1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid
SMILESCC(C(=O)N1CCOCC1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-10(12(16)14-5-7-19-8-6-14)15-4-2-3-11(9-15)13(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyDGAZMXAKDTUQRD-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.03
Rot. Bonds3

About 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid

1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid (PubChem CID 43385862) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid
PubChem CID43385862
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid
SMILESCC(C(=O)N1CCOCC1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-10(12(16)14-5-7-19-8-6-14)15-4-2-3-11(9-15)13(17)18/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyDGAZMXAKDTUQRD-UHFFFAOYSA-N
XLogP0.03
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid (CID 43385862) is 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid is CC(C(=O)N1CCOCC1)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid?
The InChIKey is DGAZMXAKDTUQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-10(12(16)14-5-7-19-8-6-14)15-4-2-3-11(9-15)13(17)18/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid?
1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43385862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).