1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C15H19NO3 — CID 13359062

IUPAC1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CCC(=CC1)C2=CC(=C(C=C2)OC)OC
InChIInChI=1S/C15H19NO3/c1-11(17)16-8-6-12(7-9-16)13-4-5-14(18-2)15(10-13)19-3/h4-6,10H,7-9H2,1-3H3
InChIKeyHJDDWTFXAMBRDG-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.50
Rot. Bonds3

About 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 13359062) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID13359062
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CCC(=CC1)C2=CC(=C(C=C2)OC)OC
InChIInChI=1S/C15H19NO3/c1-11(17)16-8-6-12(7-9-16)13-4-5-14(18-2)15(10-13)19-3/h4-6,10H,7-9H2,1-3H3
InChIKeyHJDDWTFXAMBRDG-UHFFFAOYSA-N
XLogP1.50
TPSA38.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity353

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 13359062) is 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CCC(=CC1)C2=CC(=C(C=C2)OC)OC.
What is the InChIKey of 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is HJDDWTFXAMBRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11(17)16-8-6-12(7-9-16)13-4-5-14(18-2)15(10-13)19-3/h4-6,10H,7-9H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 261.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 13359062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).