1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane

C16H33N3O2 — CID 165146140

IUPAC1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane
SMILESCC.CC(=O)N1CCN(C(=O)CCCCCN(C)C)CC1
InChIInChI=1S/C14H27N3O2.C2H6/c1-13(18)16-9-11-17(12-10-16)14(19)7-5-4-6-8-15(2)3;1-2/h4-12H2,1-3H3;1-2H3
InChIKeyGULGYOFQCAWTJC-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.83
Rot. Bonds6

About 1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane

1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane (PubChem CID 165146140) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane
PubChem CID165146140
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane
SMILESCC.CC(=O)N1CCN(C(=O)CCCCCN(C)C)CC1
InChIInChI=1S/C14H27N3O2.C2H6/c1-13(18)16-9-11-17(12-10-16)14(19)7-5-4-6-8-15(2)3;1-2/h4-12H2,1-3H3;1-2H3
InChIKeyGULGYOFQCAWTJC-UHFFFAOYSA-N
XLogP1.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.83
H-Bond Donors ≤ 50
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-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane (CID 165146140) is 1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane is CC.CC(=O)N1CCN(C(=O)CCCCCN(C)C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane?
The InChIKey is GULGYOFQCAWTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.C2H6/c1-13(18)16-9-11-17(12-10-16)14(19)7-5-4-6-8-15(2)3;1-2/h4-12H2,1-3H3;1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane?
1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane has a molecular weight of 299.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-6-(dimethylamino)hexan-1-one;ethane is sourced from PubChem (CID 165146140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).