methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate

C13H20N2O5 — CID 79807210

IUPACmethyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CCC(=O)NC2)CCO1
InChIInChI=1S/C13H20N2O5/c1-19-12(17)6-10-8-15(4-5-20-10)13(18)9-2-3-11(16)14-7-9/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyDVMORIDUKNPVIH-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.70
Rot. Bonds3

About methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate

methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate (PubChem CID 79807210) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate
PubChem CID79807210
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Namemethyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CCC(=O)NC2)CCO1
InChIInChI=1S/C13H20N2O5/c1-19-12(17)6-10-8-15(4-5-20-10)13(18)9-2-3-11(16)14-7-9/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyDVMORIDUKNPVIH-UHFFFAOYSA-N
XLogP-0.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(cyclobutanecarbonyl)morpholin-2-yl]acetate
CID 79806815
5-[2-(1-aminoethyl)morpholine-4-carbonyl]piperidin-2-one
CID 81484363
methyl 2-[4-(5-methyloxolane-3-carbonyl)morpholin-2-yl]acetate
CID 114826544
methyl 2-[4-(2-methylcyclopropanecarbonyl)morpholin-2-yl]acetate
CID 79806979
(5S)-5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-2-one
CID 94159203
5-[2-(aminomethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 114398200
2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192169
5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-2-one
CID 103745537
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
1-[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]azetidine-3-carboxylic acid
CID 115535465
5-[2-(cyclopropylmethoxymethyl)morpholine-4-carbonyl]pyrrolidin-2-one
CID 127935355

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate (CID 79807210) is methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)C2CCC(=O)NC2)CCO1.
What is the InChIKey of methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate?
The InChIKey is DVMORIDUKNPVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-12(17)6-10-8-15(4-5-20-10)13(18)9-2-3-11(16)14-7-9/h9-10H,2-8H2,1H3,(H,14,16).
What are the key properties of methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate has a molecular weight of 284.31 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-oxopiperidine-3-carbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79807210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).