5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

C14H19BrN2O3 — CID 62357949

IUPAC5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H19BrN2O3/c15-12-3-4-13(19)17(9-12)10-14(20)16-6-1-2-11(8-16)5-7-18/h3-4,9,11,18H,1-2,5-8,10H2
InChIKeyZNUHYUMPEGFVMT-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.23
Rot. Bonds4

About 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one

5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 62357949) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID62357949
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1cc(Br)ccc1=O)N1CCCC(CCO)C1
InChIInChI=1S/C14H19BrN2O3/c15-12-3-4-13(19)17(9-12)10-14(20)16-6-1-2-11(8-16)5-7-18/h3-4,9,11,18H,1-2,5-8,10H2
InChIKeyZNUHYUMPEGFVMT-UHFFFAOYSA-N
XLogP1.23
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one (CID 62357949) is 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is O=C(Cn1cc(Br)ccc1=O)N1CCCC(CCO)C1.
What is the InChIKey of 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is ZNUHYUMPEGFVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c15-12-3-4-13(19)17(9-12)10-14(20)16-6-1-2-11(8-16)5-7-18/h3-4,9,11,18H,1-2,5-8,10H2.
What are the key properties of 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one?
5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 343.22 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62357949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).