1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one

C11H17NO2 — CID 130943642

IUPAC1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one
SMILESCC1(CC(=O)N2CCCC(=O)C2)CC1
InChIInChI=1S/C11H17NO2/c1-11(4-5-11)7-10(14)12-6-2-3-9(13)8-12/h2-8H2,1H3
InChIKeyZTBJXBJGAHCGQG-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.37
Rot. Bonds2

About 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one

1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one (PubChem CID 130943642) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one.

Molecular Properties

Compound Name1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one
PubChem CID130943642
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one
SMILESCC1(CC(=O)N2CCCC(=O)C2)CC1
InChIInChI=1S/C11H17NO2/c1-11(4-5-11)7-10(14)12-6-2-3-9(13)8-12/h2-8H2,1H3
InChIKeyZTBJXBJGAHCGQG-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one?
The IUPAC name of 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one (CID 130943642) is 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one.
What is the SMILES notation for 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one?
The canonical SMILES for 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one is CC1(CC(=O)N2CCCC(=O)C2)CC1.
What is the InChIKey of 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one?
The InChIKey is ZTBJXBJGAHCGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(4-5-11)7-10(14)12-6-2-3-9(13)8-12/h2-8H2,1H3.
What are the key properties of 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one?
1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one has a molecular weight of 195.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylcyclopropyl)acetyl]piperidin-3-one is sourced from PubChem (CID 130943642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).