2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone

C14H20N2O — CID 114425730

IUPAC2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone
SMILESCCC1CCNC(CC(=O)c2ccncc2)C1
InChIInChI=1S/C14H20N2O/c1-2-11-3-8-16-13(9-11)10-14(17)12-4-6-15-7-5-12/h4-7,11,13,16H,2-3,8-10H2,1H3
InChIKeyYYYCFDVMWAOOTD-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.43
Rot. Bonds4

About 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone

2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone (PubChem CID 114425730) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone
PubChem CID114425730
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone
SMILESCCC1CCNC(CC(=O)c2ccncc2)C1
InChIInChI=1S/C14H20N2O/c1-2-11-3-8-16-13(9-11)10-14(17)12-4-6-15-7-5-12/h4-7,11,13,16H,2-3,8-10H2,1H3
InChIKeyYYYCFDVMWAOOTD-UHFFFAOYSA-N
XLogP2.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone?
The IUPAC name of 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone (CID 114425730) is 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone?
The canonical SMILES for 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone is CCC1CCNC(CC(=O)c2ccncc2)C1.
What is the InChIKey of 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone?
The InChIKey is YYYCFDVMWAOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11-3-8-16-13(9-11)10-14(17)12-4-6-15-7-5-12/h4-7,11,13,16H,2-3,8-10H2,1H3.
What are the key properties of 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone?
2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone has a molecular weight of 232.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-2-yl)-1-pyridin-4-ylethanone is sourced from PubChem (CID 114425730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).