[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone

C20H23NO3 — CID 32822941

IUPAC[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO3/c1-23-18-11-10-16(14-19(18)24-2)20(22)21-12-6-9-17(21)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17H,6,9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyAMEXWSRBDFPPFA-QGZVFWFLSA-N
MW325.41 g/mol
LogP3.55
Rot. Bonds5

About [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone

[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 32822941) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID32822941
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO3/c1-23-18-11-10-16(14-19(18)24-2)20(22)21-12-6-9-17(21)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17H,6,9,12-13H2,1-2H3/t17-/m1/s1
InChIKeyAMEXWSRBDFPPFA-QGZVFWFLSA-N
XLogP3.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63753428
[2-(2-chloroethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 63393532
(3,4-dimethoxyphenyl)-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 53193381
[2-(1,3-benzodioxol-5-ylmethyl)piperidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 10738732
(2-benzylpyrrolidin-1-yl)-(2-methoxy-5-methylsulfonylphenyl)methanone
CID 126807281
[(2R)-2-benzylpyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 32825320
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
1,3-benzodioxol-5-yl-[(2S)-2-benzylpyrrolidin-1-yl]methanone
CID 32822886
1-(3,4-dimethoxybenzoyl)pyrrolidine-2-carbaldehyde
CID 74552344
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182996
4-[(2S)-2-benzylpyrrolidine-1-carbonyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 25375184

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone (CID 32822941) is [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1OC.
What is the InChIKey of [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is AMEXWSRBDFPPFA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-18-11-10-16(14-19(18)24-2)20(22)21-12-6-9-17(21)13-15-7-4-3-5-8-15/h3-5,7-8,10-11,14,17H,6,9,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone?
[(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-benzylpyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 32822941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).