4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid

C13H24N2O3 — CID 43803236

IUPAC4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid
SMILESCCCN1CCC(C(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C13H24N2O3/c1-2-5-14-6-3-13(4-7-14,12(16)17)15-8-10-18-11-9-15/h2-11H2,1H3,(H,16,17)
InChIKeyJQAISBCQPTXIIG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.65
Rot. Bonds4

About 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid

4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid (PubChem CID 43803236) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid
PubChem CID43803236
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid
SMILESCCCN1CCC(C(=O)O)(N2CCOCC2)CC1
InChIInChI=1S/C13H24N2O3/c1-2-5-14-6-3-13(4-7-14,12(16)17)15-8-10-18-11-9-15/h2-11H2,1H3,(H,16,17)
InChIKeyJQAISBCQPTXIIG-UHFFFAOYSA-N
XLogP0.65
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholin-4-yl-piperidine-4-carboxylic acid
CID 3159697
Bis-[2-(2,6-dioxomorpholin-4-yl)ethyl]-aminoacetic acid
CID 129887021
1-(2-Ethoxy-2-oxoethyl)piperidine-4-carboxylic acid
CID 18783863
2,4-Dimorpholin-4-ylbutanoic acid
CID 21873271
4-Piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid
CID 43803768
1-Methyl-4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 43803827
Ethyl 1-methyl-4-piperidin-1-ylpiperidine-4-carboxylate
CID 58135892
2-(Dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
CID 58136123
Methyl 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylate
CID 60114354
Methyl [1,4'-bipiperidine]-4'-carboxylate
CID 69806218
Ethyl 4-morpholin-4-ylpiperidine-4-carboxylate
CID 69869260
1-(2-Butoxy-2-oxoethyl)piperidine-4-carboxylic acid
CID 70086282

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid?
The IUPAC name of 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid (CID 43803236) is 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid is CCCN1CCC(C(=O)O)(N2CCOCC2)CC1.
What is the InChIKey of 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid?
The InChIKey is JQAISBCQPTXIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-5-14-6-3-13(4-7-14,12(16)17)15-8-10-18-11-9-15/h2-11H2,1H3,(H,16,17).
What are the key properties of 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid?
4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 43803236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).