2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone

C14H18N2O4 — CID 84755733

IUPAC2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(Oc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C14H18N2O4/c15-7-14(17)16-5-1-2-11(8-16)20-10-3-4-12-13(6-10)19-9-18-12/h3-4,6,11H,1-2,5,7-9,15H2
InChIKeyCJSYEPGELZOULX-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.74
Rot. Bonds3

About 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone

2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone (PubChem CID 84755733) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone
PubChem CID84755733
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(Oc2ccc3c(c2)OCO3)C1
InChIInChI=1S/C14H18N2O4/c15-7-14(17)16-5-1-2-11(8-16)20-10-3-4-12-13(6-10)19-9-18-12/h3-4,6,11H,1-2,5,7-9,15H2
InChIKeyCJSYEPGELZOULX-UHFFFAOYSA-N
XLogP0.74
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]ethanone
CID 100654984
2-(1,3-benzodioxol-5-yloxy)-1-pyrrolidin-1-ylethanone
CID 6458739
2-(1,3-benzodioxol-5-yl)-1-[(3S)-3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]ethanone
CID 100656616
2-(1,3-benzodioxol-5-yl)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261467
(E)-3-(1,3-benzodioxol-5-yl)-1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]prop-2-en-1-one
CID 122257809
4-(1,3-benzodioxol-5-yloxy)-1-ethylpiperidine
CID 142009570
1,3-benzodioxol-5-yl 2-aminoacetate
CID 82112116
2-[(3S)-3-(1,3-benzodioxol-5-yloxy)pyrrolidin-1-yl]aniline
CID 141132457
(E)-3-(1,3-benzodioxol-5-yl)-1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]prop-2-en-1-one
CID 122260291
2-amino-1-(3-methoxypiperidin-1-yl)ethanone
CID 66564450
1,3-benzodioxol-5-yl-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122161050
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 46791759

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone (CID 84755733) is 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone is NCC(=O)N1CCCC(Oc2ccc3c(c2)OCO3)C1.
What is the InChIKey of 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone?
The InChIKey is CJSYEPGELZOULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-7-14(17)16-5-1-2-11(8-16)20-10-3-4-12-13(6-10)19-9-18-12/h3-4,6,11H,1-2,5,7-9,15H2.
What are the key properties of 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone?
2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone has a molecular weight of 278.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(1,3-benzodioxol-5-yloxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 84755733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).