1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one

C21H25NO3 — CID 745591

IUPAC1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)CCN2CC[C@H](c3ccccc3)C2)cc1OC
InChIInChI=1S/C21H25NO3/c1-24-20-9-8-17(14-21(20)25-2)19(23)11-13-22-12-10-18(15-22)16-6-4-3-5-7-16/h3-9,14,18H,10-13,15H2,1-2H3/t18-/m0/s1
InChIKeyLUVSHTKOFJYPMP-SFHVURJKSA-N
MW339.44 g/mol
LogP3.77
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one

1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one (PubChem CID 745591) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
PubChem CID745591
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)CCN2CC[C@H](c3ccccc3)C2)cc1OC
InChIInChI=1S/C21H25NO3/c1-24-20-9-8-17(14-21(20)25-2)19(23)11-13-22-12-10-18(15-22)16-6-4-3-5-7-16/h3-9,14,18H,10-13,15H2,1-2H3/t18-/m0/s1
InChIKeyLUVSHTKOFJYPMP-SFHVURJKSA-N
XLogP3.77
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]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

3-[(3S)-3-phenylpyrrolidin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 1145568
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 667446
1-(3,4-dimethoxyphenyl)-3-[2-[(3R)-3-phenylpyrrolidin-1-yl]ethyl]urea
CID 97453201
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
4-(4-amino-3-chloropiperidin-1-yl)-1-(3,4-dimethoxyphenyl)butan-1-one
CID 173330854
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
1-[3-(4-methoxy-3-methylphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82064861
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
3-amino-1-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-one
CID 117415452
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82064904
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one (CID 745591) is 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one is COc1ccc(C(=O)CCN2CC[C@H](c3ccccc3)C2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one?
The InChIKey is LUVSHTKOFJYPMP-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25NO3/c1-24-20-9-8-17(14-21(20)25-2)19(23)11-13-22-12-10-18(15-22)16-6-4-3-5-7-16/h3-9,14,18H,10-13,15H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one?
1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 745591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).