3-amino-1-piperazin-1-ylpropan-1-one

C7H15N3O — CID 2756536

IUPAC3-amino-1-piperazin-1-ylpropan-1-one
SMILESNCCC(=O)N1CCNCC1
InChIInChI=1S/C7H15N3O/c8-2-1-7(11)10-5-3-9-4-6-10/h9H,1-6,8H2
InChIKeyKIPRVSOTALWIDV-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.23
Rot. Bonds2

About 3-amino-1-piperazin-1-ylpropan-1-one

3-amino-1-piperazin-1-ylpropan-1-one (PubChem CID 2756536) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 3-amino-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-piperazin-1-ylpropan-1-one
PubChem CID2756536
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name3-amino-1-piperazin-1-ylpropan-1-one
SMILESNCCC(=O)N1CCNCC1
InChIInChI=1S/C7H15N3O/c8-2-1-7(11)10-5-3-9-4-6-10/h9H,1-6,8H2
InChIKeyKIPRVSOTALWIDV-UHFFFAOYSA-N
XLogP-1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-amino-1-piperazin-1-ylpropan-1-one (CID 2756536) is 3-amino-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-amino-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-amino-1-piperazin-1-ylpropan-1-one is NCCC(=O)N1CCNCC1.
What is the InChIKey of 3-amino-1-piperazin-1-ylpropan-1-one?
The InChIKey is KIPRVSOTALWIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-2-1-7(11)10-5-3-9-4-6-10/h9H,1-6,8H2.
What are the key properties of 3-amino-1-piperazin-1-ylpropan-1-one?
3-amino-1-piperazin-1-ylpropan-1-one has a molecular weight of 157.22 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 2756536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).