ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone

C15H31N3O2 — CID 145317132

IUPACethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCC.CNCC1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O2.C2H6/c1-14-10-12-2-4-15(5-3-12)11-13(17)16-6-8-18-9-7-16;1-2/h12,14H,2-11H2,1H3;1-2H3
InChIKeyXHJGLOGDEBSECV-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.80
Rot. Bonds4

About ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone

ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 145317132) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Nameethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID145317132
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nameethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESCC.CNCC1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H25N3O2.C2H6/c1-14-10-12-2-4-15(5-3-12)11-13(17)16-6-8-18-9-7-16;1-2/h12,14H,2-11H2,1H3;1-2H3
InChIKeyXHJGLOGDEBSECV-UHFFFAOYSA-N
XLogP0.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone (CID 145317132) is ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone is CC.CNCC1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is XHJGLOGDEBSECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.C2H6/c1-14-10-12-2-4-15(5-3-12)11-13(17)16-6-8-18-9-7-16;1-2/h12,14H,2-11H2,1H3;1-2H3.
What are the key properties of ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone?
ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 285.43 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 145317132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).