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

C15H20N2O3 — CID 62093203

IUPAC3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-10(17-12-3-2-6-16-15(12)18)11-4-5-13-14(9-11)20-8-7-19-13/h4-5,9-10,12,17H,2-3,6-8H2,1H3,(H,16,18)
InChIKeyPYNVAIQZAORZSD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.39
Rot. Bonds3

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

3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one (PubChem CID 62093203) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
PubChem CID62093203
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H20N2O3/c1-10(17-12-3-2-6-16-15(12)18)11-4-5-13-14(9-11)20-8-7-19-13/h4-5,9-10,12,17H,2-3,6-8H2,1H3,(H,16,18)
InChIKeyPYNVAIQZAORZSD-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

3-(1-pyridin-4-ylethylamino)piperidin-2-one
CID 62094103
3-[1-(3,4-dichlorophenyl)ethylamino]azepan-2-one
CID 43234796
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]azepan-2-one
CID 81347826
5-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
CID 63662418
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]azepan-2-one
CID 81360127
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]azepan-2-one
CID 81354601
[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
CID 62093224
3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one
CID 62094095
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-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119270831

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one?
The IUPAC name of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one (CID 62093203) is 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one.
What is the SMILES notation for 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one?
The canonical SMILES for 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one is CC(NC1CCCNC1=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one?
The InChIKey is PYNVAIQZAORZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(17-12-3-2-6-16-15(12)18)11-4-5-13-14(9-11)20-8-7-19-13/h4-5,9-10,12,17H,2-3,6-8H2,1H3,(H,16,18).
What are the key properties of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one?
3-[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 3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one is sourced from PubChem (CID 62093203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).