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

C26H34N2O2 — CID 86264501

IUPAC2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCC(N3CCCC3COCc3ccccc3)CC2)c1
InChIInChI=1S/C26H34N2O2/c1-21-7-5-10-23(17-21)18-26(29)27-15-12-24(13-16-27)28-14-6-11-25(28)20-30-19-22-8-3-2-4-9-22/h2-5,7-10,17,24-25H,6,11-16,18-20H2,1H3
InChIKeyQOILYUDVIUFGRQ-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.21
Rot. Bonds7

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

2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 86264501) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
PubChem CID86264501
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCC(N3CCCC3COCc3ccccc3)CC2)c1
InChIInChI=1S/C26H34N2O2/c1-21-7-5-10-23(17-21)18-26(29)27-15-12-24(13-16-27)28-14-6-11-25(28)20-30-19-22-8-3-2-4-9-22/h2-5,7-10,17,24-25H,6,11-16,18-20H2,1H3
InChIKeyQOILYUDVIUFGRQ-UHFFFAOYSA-N
XLogP4.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone (CID 86264501) is 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone is Cc1cccc(CC(=O)N2CCC(N3CCCC3COCc3ccccc3)CC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is QOILYUDVIUFGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-21-7-5-10-23(17-21)18-26(29)27-15-12-24(13-16-27)28-14-6-11-25(28)20-30-19-22-8-3-2-4-9-22/h2-5,7-10,17,24-25H,6,11-16,18-20H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone?
2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 406.57 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[4-[2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 86264501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).