2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone

C15H21NO4 — CID 103535688

IUPAC2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CC(OC)C(OC)C2)cc1
InChIInChI=1S/C15H21NO4/c1-18-12-6-4-11(5-7-12)13(17)8-16-9-14(19-2)15(10-16)20-3/h4-7,14-15H,8-10H2,1-3H3
InChIKeyQFFVYQORKAQVKN-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.22
Rot. Bonds6

About 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone

2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 103535688) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID103535688
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CC(OC)C(OC)C2)cc1
InChIInChI=1S/C15H21NO4/c1-18-12-6-4-11(5-7-12)13(17)8-16-9-14(19-2)15(10-16)20-3/h4-7,14-15H,8-10H2,1-3H3
InChIKeyQFFVYQORKAQVKN-UHFFFAOYSA-N
XLogP1.22
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxyazetidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 121200224
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 112626490
1-(4-methoxyphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 62777262
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methoxyphenyl)ethanone
CID 63151115
2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-methoxyphenyl)ethanone
CID 123728742
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 103535755
1-(4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63633759
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
1-(4-methoxyphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]ethanone
CID 170862014
2-(3-methoxy-4-methylpiperidin-1-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 102960399

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone (CID 103535688) is 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN2CC(OC)C(OC)C2)cc1.
What is the InChIKey of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is QFFVYQORKAQVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-12-6-4-11(5-7-12)13(17)8-16-9-14(19-2)15(10-16)20-3/h4-7,14-15H,8-10H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone?
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 279.34 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 103535688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).