1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one

C15H21NO3 — CID 114065871

IUPAC1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CC(OC)C(OC)C2)cc1
InChIInChI=1S/C15H21NO3/c1-4-13(17)11-5-7-12(8-6-11)16-9-14(18-2)15(10-16)19-3/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyYEBLGXPVASQMNG-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.13
Rot. Bonds5

About 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one

1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one (PubChem CID 114065871) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one
PubChem CID114065871
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CC(OC)C(OC)C2)cc1
InChIInChI=1S/C15H21NO3/c1-4-13(17)11-5-7-12(8-6-11)16-9-14(18-2)15(10-16)19-3/h5-8,14-15H,4,9-10H2,1-3H3
InChIKeyYEBLGXPVASQMNG-UHFFFAOYSA-N
XLogP2.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-methoxypiperidin-1-yl)phenyl]propan-1-one
CID 114065869
4-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]benzoic acid
CID 129496619
1-(4-propanoylphenyl)piperidin-4-one
CID 83779934
4-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]aniline
CID 129414434
4-(3-ethoxy-4-methoxypyrrolidin-1-yl)aniline
CID 121203946
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(4-methoxyphenyl)ethanone
CID 103535688
4-(4-propanoylphenyl)morpholine-2-carbonitrile
CID 114065848
1-[3-tert-butyl-5-[(4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]-4-methoxyphenyl]propan-1-one
CID 143227176
1-[4-(2,4-dimethylpiperazin-1-yl)phenyl]propan-1-one
CID 114086886
N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide
CID 178082896
S-[5-oxo-1-(4-propanoylphenyl)pyrrolidin-3-yl] ethanethioate
CID 168704828
5-methyl-1-[4-(4-propanoylphenyl)piperazin-1-yl]hexan-1-one
CID 172566025

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one?
The IUPAC name of 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one (CID 114065871) is 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one is CCC(=O)c1ccc(N2CC(OC)C(OC)C2)cc1.
What is the InChIKey of 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one?
The InChIKey is YEBLGXPVASQMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-13(17)11-5-7-12(8-6-11)16-9-14(18-2)15(10-16)19-3/h5-8,14-15H,4,9-10H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one?
1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 114065871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).