1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one

C11H21N3O — CID 91433839

IUPAC1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)C1CNCCN1
InChIInChI=1S/C11H21N3O/c15-11(10-9-12-4-5-13-10)3-8-14-6-1-2-7-14/h10,12-13H,1-9H2
InChIKeyHZDZMCQBEYHWDD-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.40
Rot. Bonds4

About 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one

1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 91433839) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one
PubChem CID91433839
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)C1CNCCN1
InChIInChI=1S/C11H21N3O/c15-11(10-9-12-4-5-13-10)3-8-14-6-1-2-7-14/h10,12-13H,1-9H2
InChIKeyHZDZMCQBEYHWDD-UHFFFAOYSA-N
XLogP-0.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one (CID 91433839) is 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCCC1)C1CNCCN1.
What is the InChIKey of 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HZDZMCQBEYHWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c15-11(10-9-12-4-5-13-10)3-8-14-6-1-2-7-14/h10,12-13H,1-9H2.
What are the key properties of 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one?
1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 211.31 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-2-yl-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 91433839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).