[2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

C26H32N2O3 — CID 50846280

IUPAC[2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)cc(C(=O)N2CCC(COc3ccccc3C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C26H32N2O3/c1-19-15-20(2)17-22(16-19)25(29)28-13-9-21(10-14-28)18-31-24-8-4-3-7-23(24)26(30)27-11-5-6-12-27/h3-4,7-8,15-17,21H,5-6,9-14,18H2,1-2H3
InChIKeyBYJMWIYMPFHKHM-UHFFFAOYSA-N
MW420.55 g/mol
LogP4.47
Rot. Bonds5

About [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone

[2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 50846280) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID50846280
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name[2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)cc(C(=O)N2CCC(COc3ccccc3C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C26H32N2O3/c1-19-15-20(2)17-22(16-19)25(29)28-13-9-21(10-14-28)18-31-24-8-4-3-7-23(24)26(30)27-11-5-6-12-27/h3-4,7-8,15-17,21H,5-6,9-14,18H2,1-2H3
InChIKeyBYJMWIYMPFHKHM-UHFFFAOYSA-N
XLogP4.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone 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-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone (CID 50846280) is [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is Cc1cc(C)cc(C(=O)N2CCC(COc3ccccc3C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BYJMWIYMPFHKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-19-15-20(2)17-22(16-19)25(29)28-13-9-21(10-14-28)18-31-24-8-4-3-7-23(24)26(30)27-11-5-6-12-27/h3-4,7-8,15-17,21H,5-6,9-14,18H2,1-2H3.
What are the key properties of [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone?
[2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 420.55 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(3,5-dimethylbenzoyl)piperidin-4-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 50846280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).