methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate

C15H20N2O4 — CID 11266319

IUPACmethyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)5-4-14(18)12-2-3-13(16-10-12)11-17-6-8-21-9-7-17/h2-3,10H,4-9,11H2,1H3
InChIKeyOZGGKYAKVODRLD-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.05
Rot. Bonds6

About methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate

methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate (PubChem CID 11266319) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate
PubChem CID11266319
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Namemethyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)c1ccc(CN2CCOCC2)nc1
InChIInChI=1S/C15H20N2O4/c1-20-15(19)5-4-14(18)12-2-3-13(16-10-12)11-17-6-8-21-9-7-17/h2-3,10H,4-9,11H2,1H3
InChIKeyOZGGKYAKVODRLD-UHFFFAOYSA-N
XLogP1.05
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate with MolForge

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Related Compounds

methyl 6-(chloromethyl)pyridine-3-carboxylate;6-(morpholin-4-ylmethyl)pyridine-3-carboxylic acid
CID 162171346
lithium 6-(morpholin-4-ylmethyl)pyridine-3-carboxylate
CID 118364714
ethyl 4-[4-(morpholin-4-ylmethyl)phenyl]-4-oxobutanoate
CID 24724267
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
1-(2,3-difluoro-4-methoxyphenyl)-3-[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea
CID 174370055
4-[(5-ethylsulfanyl-2-pyridinyl)methyl]morpholine
CID 144686812
methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate
CID 107160829
4-methoxy-3-[[4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]benzoic acid
CID 22217980
N-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide
CID 90418118
methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate
CID 113282021
6-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 29324984
6-methoxy-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 47126571

Frequently Asked Questions

What is the IUPAC name of methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate?
The IUPAC name of methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate (CID 11266319) is methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate is COC(=O)CCC(=O)c1ccc(CN2CCOCC2)nc1.
What is the InChIKey of methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate?
The InChIKey is OZGGKYAKVODRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-20-15(19)5-4-14(18)12-2-3-13(16-10-12)11-17-6-8-21-9-7-17/h2-3,10H,4-9,11H2,1H3.
What are the key properties of methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate?
methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate has a molecular weight of 292.34 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate is sourced from PubChem (CID 11266319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).