4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one

C18H30N2O — CID 138383230

IUPAC4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCCCCC(CC)CN1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H30N2O/c1-3-5-6-15(4-2)14-20-11-8-16(9-12-20)17-7-10-19-18(21)13-17/h7,10,13,15-16H,3-6,8-9,11-12,14H2,1-2H3,(H,19,21)
InChIKeyOIYFZUDWFWFJTB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.77
Rot. Bonds7

About 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one

4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one (PubChem CID 138383230) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one
PubChem CID138383230
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one
SMILESCCCCC(CC)CN1CCC(c2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H30N2O/c1-3-5-6-15(4-2)14-20-11-8-16(9-12-20)17-7-10-19-18(21)13-17/h7,10,13,15-16H,3-6,8-9,11-12,14H2,1-2H3,(H,19,21)
InChIKeyOIYFZUDWFWFJTB-UHFFFAOYSA-N
XLogP3.77
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one (CID 138383230) is 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one is CCCCC(CC)CN1CCC(c2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one?
The InChIKey is OIYFZUDWFWFJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-5-6-15(4-2)14-20-11-8-16(9-12-20)17-7-10-19-18(21)13-17/h7,10,13,15-16H,3-6,8-9,11-12,14H2,1-2H3,(H,19,21).
What are the key properties of 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one?
4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one has a molecular weight of 290.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethylhexyl)piperidin-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 138383230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).