2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one

C11H21N3O2 — CID 24693653

IUPAC2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-10(13-6-8-16-9-7-13)11(15)14-4-2-12-3-5-14/h10,12H,2-9H2,1H3
InChIKeyWOXUBPDTWQBTAG-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.86
Rot. Bonds2

About 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one

2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one (PubChem CID 24693653) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one
PubChem CID24693653
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCNCC1)N1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-10(13-6-8-16-9-7-13)11(15)14-4-2-12-3-5-14/h10,12H,2-9H2,1H3
InChIKeyWOXUBPDTWQBTAG-UHFFFAOYSA-N
XLogP-0.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one (CID 24693653) is 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCNCC1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one?
The InChIKey is WOXUBPDTWQBTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(13-6-8-16-9-7-13)11(15)14-4-2-12-3-5-14/h10,12H,2-9H2,1H3.
What are the key properties of 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one?
2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one has a molecular weight of 227.31 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 24693653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).