1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone

C13H24N2O — CID 90127569

IUPAC1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone
SMILESC=C(CCCCC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O/c1-4-5-6-7-12(2)14-8-10-15(11-9-14)13(3)16/h2,4-11H2,1,3H3
InChIKeyMRAROKYZDLQLBK-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone

1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone (PubChem CID 90127569) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone
PubChem CID90127569
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone
SMILESC=C(CCCCC)N1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O/c1-4-5-6-7-12(2)14-8-10-15(11-9-14)13(3)16/h2,4-11H2,1,3H3
InChIKeyMRAROKYZDLQLBK-UHFFFAOYSA-N
XLogP2.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone (CID 90127569) is 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone is C=C(CCCCC)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone?
The InChIKey is MRAROKYZDLQLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-5-6-7-12(2)14-8-10-15(11-9-14)13(3)16/h2,4-11H2,1,3H3.
What are the key properties of 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone?
1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone has a molecular weight of 224.35 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hept-1-en-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 90127569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).