1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one

C15H28N2O3 — CID 119793035

IUPAC1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
SMILESCOCC1CN(C(=O)CC(C)C2CCNCC2)CCO1
InChIInChI=1S/C15H28N2O3/c1-12(13-3-5-16-6-4-13)9-15(18)17-7-8-20-14(10-17)11-19-2/h12-14,16H,3-11H2,1-2H3
InChIKeyKXRLFQMUODBELE-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.89
Rot. Bonds5

About 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one

1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one (PubChem CID 119793035) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
PubChem CID119793035
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
SMILESCOCC1CN(C(=O)CC(C)C2CCNCC2)CCO1
InChIInChI=1S/C15H28N2O3/c1-12(13-3-5-16-6-4-13)9-15(18)17-7-8-20-14(10-17)11-19-2/h12-14,16H,3-11H2,1-2H3
InChIKeyKXRLFQMUODBELE-UHFFFAOYSA-N
XLogP0.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730
1-[3-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119781766
1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119809794
1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119814348
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119815515
1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119786521
3-piperidin-4-yl-1-(2-thiophen-2-ylmorpholin-4-yl)butan-1-one
CID 119757325
4-amino-1-[2-(methoxymethyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120562971
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119897738
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[2-(methoxymethyl)morpholin-4-yl]ethanone
CID 119793029
1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119698721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one?
The IUPAC name of 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one (CID 119793035) is 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one.
What is the SMILES notation for 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one?
The canonical SMILES for 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one is COCC1CN(C(=O)CC(C)C2CCNCC2)CCO1.
What is the InChIKey of 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one?
The InChIKey is KXRLFQMUODBELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(13-3-5-16-6-4-13)9-15(18)17-7-8-20-14(10-17)11-19-2/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one?
1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one has a molecular weight of 284.40 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one is sourced from PubChem (CID 119793035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).