2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione

C15H20N2O2 — CID 102370657

IUPAC2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione
SMILESCCC(C(=O)c1ccccn1)C(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O2/c1-2-12(14(18)13-8-4-5-9-16-13)15(19)17-10-6-3-7-11-17/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKeyYDWUAHDSJGYUCV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.30
Rot. Bonds4

About 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione

2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione (PubChem CID 102370657) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione.

Molecular Properties

Compound Name2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione
PubChem CID102370657
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione
SMILESCCC(C(=O)c1ccccn1)C(=O)N1CCCCC1
InChIInChI=1S/C15H20N2O2/c1-2-12(14(18)13-8-4-5-9-16-13)15(19)17-10-6-3-7-11-17/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3
InChIKeyYDWUAHDSJGYUCV-UHFFFAOYSA-N
XLogP2.30
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-2-pyridin-2-ylethane-1,2-dione
CID 101170127
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate
CID 9412619
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)pyridine-2-carboxamide
CID 51102650
N'-(piperidine-1-carbonyl)pyridine-2-carbohydrazide
CID 141057389
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
(2S)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 102428225
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083640
[4-(1-aminobutan-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 55201001

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione?
The IUPAC name of 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione (CID 102370657) is 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione.
What is the SMILES notation for 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione?
The canonical SMILES for 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione is CCC(C(=O)c1ccccn1)C(=O)N1CCCCC1.
What is the InChIKey of 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione?
The InChIKey is YDWUAHDSJGYUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-12(14(18)13-8-4-5-9-16-13)15(19)17-10-6-3-7-11-17/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3.
What are the key properties of 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione?
2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione has a molecular weight of 260.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-piperidin-1-yl-3-pyridin-2-ylpropane-1,3-dione is sourced from PubChem (CID 102370657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).