3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one

C13H18N2O2 — CID 103337171

IUPAC3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one
SMILESCCC1CCCN(C(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C13H18N2O2/c1-2-10-4-3-7-15(9-10)13(17)11-8-14-6-5-12(11)16/h5-6,8,10H,2-4,7,9H2,1H3,(H,14,16)
InChIKeyCKYDNPZDVKNNNE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.64
Rot. Bonds2

About 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one

3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one (PubChem CID 103337171) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one
PubChem CID103337171
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one
SMILESCCC1CCCN(C(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C13H18N2O2/c1-2-10-4-3-7-15(9-10)13(17)11-8-14-6-5-12(11)16/h5-6,8,10H,2-4,7,9H2,1H3,(H,14,16)
InChIKeyCKYDNPZDVKNNNE-UHFFFAOYSA-N
XLogP1.64
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337557
1-(4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 103336874
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carbonyl)-1H-pyridin-4-one
CID 103386618
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103336976
(3-ethylpiperidin-1-yl)-(4-fluorophenyl)methanone
CID 23552313
(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
(4-amino-1H-pyrrol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43644014
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337686
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 43430237

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one?
The IUPAC name of 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one (CID 103337171) is 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one is CCC1CCCN(C(=O)c2c[nH]ccc2=O)C1.
What is the InChIKey of 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one?
The InChIKey is CKYDNPZDVKNNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-10-4-3-7-15(9-10)13(17)11-8-14-6-5-12(11)16/h5-6,8,10H,2-4,7,9H2,1H3,(H,14,16).
What are the key properties of 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one?
3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one is sourced from PubChem (CID 103337171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).