1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one

C14H21N3O — CID 104680386

IUPAC1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one
SMILESCCNc1ccc(CN2CCCC(C)C2=O)cn1
InChIInChI=1S/C14H21N3O/c1-3-15-13-7-6-12(9-16-13)10-17-8-4-5-11(2)14(17)18/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyFJWOIVRZMLOOFI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.27
Rot. Bonds4

About 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one

1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one (PubChem CID 104680386) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one
PubChem CID104680386
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one
SMILESCCNc1ccc(CN2CCCC(C)C2=O)cn1
InChIInChI=1S/C14H21N3O/c1-3-15-13-7-6-12(9-16-13)10-17-8-4-5-11(2)14(17)18/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyFJWOIVRZMLOOFI-UHFFFAOYSA-N
XLogP2.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one (CID 104680386) is 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one is CCNc1ccc(CN2CCCC(C)C2=O)cn1.
What is the InChIKey of 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one?
The InChIKey is FJWOIVRZMLOOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-15-13-7-6-12(9-16-13)10-17-8-4-5-11(2)14(17)18/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,16).
What are the key properties of 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one?
1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104680386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).