2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide

C15H27N3O2 — CID 60543143

IUPAC2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(N2CCOC(C)C2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-6-16-15(19)12-17-7-4-14(5-8-17)18-9-10-20-13(2)11-18/h3,13-14H,1,4-12H2,2H3,(H,16,19)
InChIKeyXOKYZHOGRMWZNY-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.47
Rot. Bonds5

About 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide

2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 60543143) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID60543143
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(N2CCOC(C)C2)CC1
InChIInChI=1S/C15H27N3O2/c1-3-6-16-15(19)12-17-7-4-14(5-8-17)18-9-10-20-13(2)11-18/h3,13-14H,1,4-12H2,2H3,(H,16,19)
InChIKeyXOKYZHOGRMWZNY-UHFFFAOYSA-N
XLogP0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide (CID 60543143) is 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(N2CCOC(C)C2)CC1.
What is the InChIKey of 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is XOKYZHOGRMWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-6-16-15(19)12-17-7-4-14(5-8-17)18-9-10-20-13(2)11-18/h3,13-14H,1,4-12H2,2H3,(H,16,19).
What are the key properties of 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 281.40 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 60543143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).