methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate

C14H18N2O4 — CID 115535926

IUPACmethyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)Cc2ccncc2)CCO1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)9-12-10-16(6-7-20-12)13(17)8-11-2-4-15-5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyUQTGOHLXEMLNFK-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.41
Rot. Bonds4

About methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate

methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate (PubChem CID 115535926) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
PubChem CID115535926
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)Cc2ccncc2)CCO1
InChIInChI=1S/C14H18N2O4/c1-19-14(18)9-12-10-16(6-7-20-12)13(17)8-11-2-4-15-5-3-11/h2-5,12H,6-10H2,1H3
InChIKeyUQTGOHLXEMLNFK-UHFFFAOYSA-N
XLogP0.41
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[2-(4-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79813124
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
CID 56755872
methyl 2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetate
CID 79812518
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
methyl 2-[4-(pyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79806240
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
methyl 2-[4-[4-(hydroxymethyl)benzoyl]morpholin-2-yl]acetate
CID 115535924
methyl 2-[4-(4-hydroxybenzoyl)morpholin-2-yl]acetate
CID 115534950
methyl 2-[4-[2-(2-methoxyethylsulfanyl)acetyl]morpholin-2-yl]acetate
CID 79806978
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
methyl 2-[4-(4-chlorobutanoyl)morpholin-2-yl]acetate
CID 115534258
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate (CID 115535926) is methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)Cc2ccncc2)CCO1.
What is the InChIKey of methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate?
The InChIKey is UQTGOHLXEMLNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-14(18)9-12-10-16(6-7-20-12)13(17)8-11-2-4-15-5-3-11/h2-5,12H,6-10H2,1H3.
What are the key properties of methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate?
methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate has a molecular weight of 278.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate is sourced from PubChem (CID 115535926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).