1-(1-hexanoylpiperazin-2-yl)hexan-1-one

C16H30N2O2 — CID 22596902

IUPAC1-(1-hexanoylpiperazin-2-yl)hexan-1-one
SMILESCCCCCC(=O)C1CNCCN1C(=O)CCCCC
InChIInChI=1S/C16H30N2O2/c1-3-5-7-9-15(19)14-13-17-11-12-18(14)16(20)10-8-6-4-2/h14,17H,3-13H2,1-2H3
InChIKeyBEXKPQLPZGKFIZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.52
Rot. Bonds9

About 1-(1-hexanoylpiperazin-2-yl)hexan-1-one

1-(1-hexanoylpiperazin-2-yl)hexan-1-one (PubChem CID 22596902) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(1-hexanoylpiperazin-2-yl)hexan-1-one.

Molecular Properties

Compound Name1-(1-hexanoylpiperazin-2-yl)hexan-1-one
PubChem CID22596902
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(1-hexanoylpiperazin-2-yl)hexan-1-one
SMILESCCCCCC(=O)C1CNCCN1C(=O)CCCCC
InChIInChI=1S/C16H30N2O2/c1-3-5-7-9-15(19)14-13-17-11-12-18(14)16(20)10-8-6-4-2/h14,17H,3-13H2,1-2H3
InChIKeyBEXKPQLPZGKFIZ-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-hexanoylpiperazin-2-yl)hexan-1-one?
The IUPAC name of 1-(1-hexanoylpiperazin-2-yl)hexan-1-one (CID 22596902) is 1-(1-hexanoylpiperazin-2-yl)hexan-1-one.
What is the SMILES notation for 1-(1-hexanoylpiperazin-2-yl)hexan-1-one?
The canonical SMILES for 1-(1-hexanoylpiperazin-2-yl)hexan-1-one is CCCCCC(=O)C1CNCCN1C(=O)CCCCC.
What is the InChIKey of 1-(1-hexanoylpiperazin-2-yl)hexan-1-one?
The InChIKey is BEXKPQLPZGKFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-5-7-9-15(19)14-13-17-11-12-18(14)16(20)10-8-6-4-2/h14,17H,3-13H2,1-2H3.
What are the key properties of 1-(1-hexanoylpiperazin-2-yl)hexan-1-one?
1-(1-hexanoylpiperazin-2-yl)hexan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hexanoylpiperazin-2-yl)hexan-1-one is sourced from PubChem (CID 22596902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).