1-acetylpiperidin-4-one;ethane

C9H17NO2 — CID 91328133

IUPAC1-acetylpiperidin-4-one;ethane
SMILESCC.CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C7H11NO2.C2H6/c1-6(9)8-4-2-7(10)3-5-8;1-2/h2-5H2,1H3;1-2H3
InChIKeyNTDAQOWFUDXACQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.22
Rot. Bonds

About 1-acetylpiperidin-4-one;ethane

1-acetylpiperidin-4-one;ethane (PubChem CID 91328133) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-acetylpiperidin-4-one;ethane.

Molecular Properties

Compound Name1-acetylpiperidin-4-one;ethane
PubChem CID91328133
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-acetylpiperidin-4-one;ethane
SMILESCC.CC(=O)N1CCC(=O)CC1
InChIInChI=1S/C7H11NO2.C2H6/c1-6(9)8-4-2-7(10)3-5-8;1-2/h2-5H2,1H3;1-2H3
InChIKeyNTDAQOWFUDXACQ-UHFFFAOYSA-N
XLogP1.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetylpiperidin-4-one;ethane?
The IUPAC name of 1-acetylpiperidin-4-one;ethane (CID 91328133) is 1-acetylpiperidin-4-one;ethane.
What is the SMILES notation for 1-acetylpiperidin-4-one;ethane?
The canonical SMILES for 1-acetylpiperidin-4-one;ethane is CC.CC(=O)N1CCC(=O)CC1.
What is the InChIKey of 1-acetylpiperidin-4-one;ethane?
The InChIKey is NTDAQOWFUDXACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.C2H6/c1-6(9)8-4-2-7(10)3-5-8;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of 1-acetylpiperidin-4-one;ethane?
1-acetylpiperidin-4-one;ethane has a molecular weight of 171.24 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidin-4-one;ethane is sourced from PubChem (CID 91328133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).