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

C11H21N3O2 — CID 16769381

IUPAC1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c1-10(13-4-2-12-3-5-13)11(15)14-6-8-16-9-7-14/h10,12H,2-9H2,1H3
InChIKeyNQNOAAWEKHQJFV-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.86
Rot. Bonds2

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

1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one (PubChem CID 16769381) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one
PubChem CID16769381
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c1-10(13-4-2-12-3-5-13)11(15)14-6-8-16-9-7-14/h10,12H,2-9H2,1H3
InChIKeyNQNOAAWEKHQJFV-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 1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one (CID 16769381) is 1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCOCC1)N1CCNCC1.
What is the InChIKey of 1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one?
The InChIKey is NQNOAAWEKHQJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(13-4-2-12-3-5-13)11(15)14-6-8-16-9-7-14/h10,12H,2-9H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one?
1-morpholin-4-yl-2-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 1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 16769381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).