1-(azetidin-3-yl)-2-piperidin-1-ylethanone

C10H18N2O — CID 115007089

IUPAC1-(azetidin-3-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)C1CNC1
InChIInChI=1S/C10H18N2O/c13-10(9-6-11-7-9)8-12-4-2-1-3-5-12/h9,11H,1-8H2
InChIKeyDBYWUFKXMLWZAO-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.26
Rot. Bonds3

About 1-(azetidin-3-yl)-2-piperidin-1-ylethanone

1-(azetidin-3-yl)-2-piperidin-1-ylethanone (PubChem CID 115007089) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-piperidin-1-ylethanone
PubChem CID115007089
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(azetidin-3-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)C1CNC1
InChIInChI=1S/C10H18N2O/c13-10(9-6-11-7-9)8-12-4-2-1-3-5-12/h9,11H,1-8H2
InChIKeyDBYWUFKXMLWZAO-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(azetidin-3-yl)-2-piperidin-1-ylethanone (CID 115007089) is 1-(azetidin-3-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(azetidin-3-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(azetidin-3-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2-piperidin-1-ylethanone?
The InChIKey is DBYWUFKXMLWZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c13-10(9-6-11-7-9)8-12-4-2-1-3-5-12/h9,11H,1-8H2.
What are the key properties of 1-(azetidin-3-yl)-2-piperidin-1-ylethanone?
1-(azetidin-3-yl)-2-piperidin-1-ylethanone has a molecular weight of 182.27 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 115007089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).