1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone

C9H17N3O — CID 118487360

IUPAC1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN/C(=C\C(C)N)C1
InChIInChI=1S/C9H17N3O/c1-7(10)5-9-6-12(8(2)13)4-3-11-9/h5,7,11H,3-4,6,10H2,1-2H3/b9-5-
InChIKeyFMQQJNLFGIDSAJ-UITAMQMPSA-N
MW183.25 g/mol
LogP-0.33
Rot. Bonds1

About 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone

1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone (PubChem CID 118487360) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone
PubChem CID118487360
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN/C(=C\C(C)N)C1
InChIInChI=1S/C9H17N3O/c1-7(10)5-9-6-12(8(2)13)4-3-11-9/h5,7,11H,3-4,6,10H2,1-2H3/b9-5-
InChIKeyFMQQJNLFGIDSAJ-UITAMQMPSA-N
XLogP-0.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone (CID 118487360) is 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone is CC(=O)N1CCN/C(=C\C(C)N)C1.
What is the InChIKey of 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone?
The InChIKey is FMQQJNLFGIDSAJ-UITAMQMPSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(10)5-9-6-12(8(2)13)4-3-11-9/h5,7,11H,3-4,6,10H2,1-2H3/b9-5-.
What are the key properties of 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone?
1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone has a molecular weight of 183.25 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z)-3-(2-aminopropylidene)piperazin-1-yl]ethanone is sourced from PubChem (CID 118487360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).