5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one

C11H20N2O2 — CID 103142087

IUPAC5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one
SMILESCC1CCC(CN2CC(N)CCC2=O)O1
InChIInChI=1S/C11H20N2O2/c1-8-2-4-10(15-8)7-13-6-9(12)3-5-11(13)14/h8-10H,2-7,12H2,1H3
InChIKeyPHBVZQWSGFJDOI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.50
Rot. Bonds2

About 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one

5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one (PubChem CID 103142087) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one
PubChem CID103142087
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one
SMILESCC1CCC(CN2CC(N)CCC2=O)O1
InChIInChI=1S/C11H20N2O2/c1-8-2-4-10(15-8)7-13-6-9(12)3-5-11(13)14/h8-10H,2-7,12H2,1H3
InChIKeyPHBVZQWSGFJDOI-UHFFFAOYSA-N
XLogP0.50
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one?
The IUPAC name of 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one (CID 103142087) is 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one.
What is the SMILES notation for 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one?
The canonical SMILES for 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one is CC1CCC(CN2CC(N)CCC2=O)O1.
What is the InChIKey of 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one?
The InChIKey is PHBVZQWSGFJDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-2-4-10(15-8)7-13-6-9(12)3-5-11(13)14/h8-10H,2-7,12H2,1H3.
What are the key properties of 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one?
5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(5-methyloxolan-2-yl)methyl]piperidin-2-one is sourced from PubChem (CID 103142087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).