3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one

C14H20N2O — CID 114508732

IUPAC3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one
SMILESCCC1CN(CCc2ccncc2)CCC1=O
InChIInChI=1S/C14H20N2O/c1-2-13-11-16(10-6-14(13)17)9-5-12-3-7-15-8-4-12/h3-4,7-8,13H,2,5-6,9-11H2,1H3
InChIKeySBSZUVBCUHGRRW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.93
Rot. Bonds4

About 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one

3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one (PubChem CID 114508732) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one
PubChem CID114508732
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one
SMILESCCC1CN(CCc2ccncc2)CCC1=O
InChIInChI=1S/C14H20N2O/c1-2-13-11-16(10-6-14(13)17)9-5-12-3-7-15-8-4-12/h3-4,7-8,13H,2,5-6,9-11H2,1H3
InChIKeySBSZUVBCUHGRRW-UHFFFAOYSA-N
XLogP1.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-hydroxyethyl)piperidin-4-one
CID 114508617
methyl (3S)-1-(2-pyridin-4-ylethyl)piperidine-3-carboxylate
CID 79038488
(3R)-3-ethyl-1-(2-methoxyethyl)piperidin-4-one
CID 129380797
3-(3-ethyl-4-oxopiperidin-1-yl)propanoic acid
CID 114509620
3-ethyl-1-(3-hydroxy-3-methylbutyl)piperidin-4-one
CID 114508829
3-ethyl-1-(2-oxo-3-phenylpropyl)piperidin-4-one
CID 114509764
(2R)-1-[(2S)-2-ethyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 97027080
[1-(2-pyridin-4-ylethyl)pyrrolidin-3-yl]methanamine
CID 60904509
3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one
CID 114509019
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-one
CID 114508804
6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964210
3-ethyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-one
CID 114508953

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one?
The IUPAC name of 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one (CID 114508732) is 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one?
The canonical SMILES for 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one is CCC1CN(CCc2ccncc2)CCC1=O.
What is the InChIKey of 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one?
The InChIKey is SBSZUVBCUHGRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-13-11-16(10-6-14(13)17)9-5-12-3-7-15-8-4-12/h3-4,7-8,13H,2,5-6,9-11H2,1H3.
What are the key properties of 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one?
3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one has a molecular weight of 232.33 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-pyridin-4-ylethyl)piperidin-4-one is sourced from PubChem (CID 114508732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).