2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

C26H34N2O2 — CID 46062679

IUPAC2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CC(CN3CCCCC3)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C26H34N2O2/c1-20-6-10-22(11-7-20)25-19-28(18-23(25)17-27-14-4-3-5-15-27)26(29)16-21-8-12-24(30-2)13-9-21/h6-13,23,25H,3-5,14-19H2,1-2H3
InChIKeyPYCUIRZDWKZISE-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 46062679) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID46062679
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CC(CN3CCCCC3)C(c3ccc(C)cc3)C2)cc1
InChIInChI=1S/C26H34N2O2/c1-20-6-10-22(11-7-20)25-19-28(18-23(25)17-27-14-4-3-5-15-27)26(29)16-21-8-12-24(30-2)13-9-21/h6-13,23,25H,3-5,14-19H2,1-2H3
InChIKeyPYCUIRZDWKZISE-UHFFFAOYSA-N
XLogP4.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone 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

furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 83277667
2-(4-ethoxyphenyl)-1-[(3R,4R)-3-(hydroxymethyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 70752824
1-[3-(4-methoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 42862683
methyl 3-oxo-3-[3-phenyl-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propanoate
CID 42863641
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
(4-methoxyphenyl)-[3-(4-methoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 42862684
1-(3-hydroxyazetidin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 63106560
(3S,4R)-1-[2-(4-fluorophenyl)acetyl]-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 16668462
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
3-methyl-1-[(3S,4R)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 92991594
1-[2-[(3R,4S)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one
CID 72866406

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 46062679) is 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone is COc1ccc(CC(=O)N2CC(CN3CCCCC3)C(c3ccc(C)cc3)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is PYCUIRZDWKZISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-20-6-10-22(11-7-20)25-19-28(18-23(25)17-27-14-4-3-5-15-27)26(29)16-21-8-12-24(30-2)13-9-21/h6-13,23,25H,3-5,14-19H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 406.57 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 46062679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).