5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one

C15H20N2O3 — CID 63662418

IUPAC5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCC(=O)NC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-10(17-12-3-5-15(18)16-9-12)11-2-4-13-14(8-11)20-7-6-19-13/h2,4,8,10,12,17H,3,5-7,9H2,1H3,(H,16,18)
InChIKeyFYYYMKVIZRLILA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.39
Rot. Bonds3

About 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one

5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one (PubChem CID 63662418) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
PubChem CID63662418
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCC(=O)NC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-10(17-12-3-5-15(18)16-9-12)11-2-4-13-14(8-11)20-7-6-19-13/h2,4,8,10,12,17H,3,5-7,9H2,1H3,(H,16,18)
InChIKeyFYYYMKVIZRLILA-UHFFFAOYSA-N
XLogP1.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-propan-2-ylphenyl)ethylamino]piperidin-2-one
CID 55246437
(3R)-N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 94170822
5-[1-(3-fluorophenyl)ethylamino]piperidin-2-one
CID 55246811
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
CID 62093203
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 64734545
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]oxan-4-amine
CID 43609831
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,1-dioxothian-3-amine
CID 63909902
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43609607
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one?
The IUPAC name of 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one (CID 63662418) is 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one.
What is the SMILES notation for 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one?
The canonical SMILES for 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one is CC(NC1CCC(=O)NC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one?
The InChIKey is FYYYMKVIZRLILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(17-12-3-5-15(18)16-9-12)11-2-4-13-14(8-11)20-7-6-19-13/h2,4,8,10,12,17H,3,5-7,9H2,1H3,(H,16,18).
What are the key properties of 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one?
5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one is sourced from PubChem (CID 63662418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).