1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one

C14H24N2O3 — CID 45220435

IUPAC1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCCC1(O)CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-2-14(19)7-5-9-16(11-14)13(18)10-15-8-4-3-6-12(15)17/h19H,2-11H2,1H3
InChIKeyJLADYXHWWZRNGE-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.76
Rot. Bonds3

About 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one

1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 45220435) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
PubChem CID45220435
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one
SMILESCCC1(O)CCCN(C(=O)CN2CCCCC2=O)C1
InChIInChI=1S/C14H24N2O3/c1-2-14(19)7-5-9-16(11-14)13(18)10-15-8-4-3-6-12(15)17/h19H,2-11H2,1H3
InChIKeyJLADYXHWWZRNGE-UHFFFAOYSA-N
XLogP0.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one (CID 45220435) is 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one is CCC1(O)CCCN(C(=O)CN2CCCCC2=O)C1.
What is the InChIKey of 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is JLADYXHWWZRNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-14(19)7-5-9-16(11-14)13(18)10-15-8-4-3-6-12(15)17/h19H,2-11H2,1H3.
What are the key properties of 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-3-hydroxypiperidin-1-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 45220435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).