2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide

C14H16N2O3 — CID 12925113

IUPAC2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NN1CC=CCC1
InChIInChI=1S/C14H16N2O3/c17-14(15-16-6-2-1-3-7-16)9-11-4-5-12-13(8-11)19-10-18-12/h1-2,4-5,8H,3,6-7,9-10H2,(H,15,17)
InChIKeyFSCCAGJIJLOZBX-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.25
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide

2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 12925113) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID12925113
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESO=C(Cc1ccc2c(c1)OCO2)NN1CC=CCC1
InChIInChI=1S/C14H16N2O3/c17-14(15-16-6-2-1-3-7-16)9-11-4-5-12-13(8-11)19-10-18-12/h1-2,4-5,8H,3,6-7,9-10H2,(H,15,17)
InChIKeyFSCCAGJIJLOZBX-UHFFFAOYSA-N
XLogP1.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1,3-benzodioxol-5-yl)acetyl]piperidin-4-one
CID 82132978
1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidin-2-one
CID 14127905
2-(1,3-benzodioxol-5-yl)-N',N'-dimethylacetohydrazide
CID 116847425
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803
2-(1,3-benzodioxol-5-yl)acetic acid;hydrochloride
CID 67706541
1,3-benzodioxol-5-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 11776063
2-(1,3-benzodioxol-5-yl)-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131893762
2-(1,3-benzodioxol-5-yl)-N-(methylcarbamoyl)acetamide
CID 11770451
N-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine-1-carboxamide
CID 113217356
N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
CID 34673472
N-(4-acetamidophenyl)-2-(1,3-benzodioxol-5-yl)acetamide
CID 110767424
(3S)-1-[2-(1,3-benzodioxol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 125118435

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 12925113) is 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide is O=C(Cc1ccc2c(c1)OCO2)NN1CC=CCC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is FSCCAGJIJLOZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-14(15-16-6-2-1-3-7-16)9-11-4-5-12-13(8-11)19-10-18-12/h1-2,4-5,8H,3,6-7,9-10H2,(H,15,17).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide?
2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 260.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 12925113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).