6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one

C13H16N2O3 — CID 114040137

IUPAC6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCCC1CN(C(=O)c2cccc(=O)[nH]2)CCC1=O
InChIInChI=1S/C13H16N2O3/c1-2-9-8-15(7-6-11(9)16)13(18)10-4-3-5-12(17)14-10/h3-5,9H,2,6-8H2,1H3,(H,14,17)
InChIKeyQYLSUMNIICRQQK-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.82
Rot. Bonds2

About 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one

6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 114040137) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID114040137
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCCC1CN(C(=O)c2cccc(=O)[nH]2)CCC1=O
InChIInChI=1S/C13H16N2O3/c1-2-9-8-15(7-6-11(9)16)13(18)10-4-3-5-12(17)14-10/h3-5,9H,2,6-8H2,1H3,(H,14,17)
InChIKeyQYLSUMNIICRQQK-UHFFFAOYSA-N
XLogP0.82
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-ethylmorpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261637
1-benzoyl-3-ethylpiperidin-4-one
CID 114508143
6-(2,6-dimethylthiomorpholine-4-carbonyl)-1H-pyridin-2-one
CID 114040378
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
1-(3-chlorobenzoyl)-3-ethylpiperidin-4-one
CID 114508192
N,3-diethyl-4-oxopiperidine-1-carboxamide
CID 114508449
6-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 107261752
3-ethyl-1-[2-(trifluoromethyl)benzoyl]piperidin-4-one
CID 114508244
3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508445
3-ethyl-1-(2-phenylacetyl)piperidin-4-one
CID 114508365
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-3-carbonitrile
CID 114040125

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one (CID 114040137) is 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one is CCC1CN(C(=O)c2cccc(=O)[nH]2)CCC1=O.
What is the InChIKey of 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is QYLSUMNIICRQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-9-8-15(7-6-11(9)16)13(18)10-4-3-5-12(17)14-10/h3-5,9H,2,6-8H2,1H3,(H,14,17).
What are the key properties of 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one?
6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 248.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-oxopiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 114040137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).