(3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

C20H27N3O3 — CID 72871112

IUPAC(3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nccn3C(C)C)CC2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-14(2)23-12-9-21-19(23)15-7-10-22(11-8-15)20(24)16-5-6-17(25-3)18(13-16)26-4/h5-6,9,12-15H,7-8,10-11H2,1-4H3
InChIKeySIFOHCVCVSCVQN-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.50
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 72871112) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID72871112
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nccn3C(C)C)CC2)cc1OC
InChIInChI=1S/C20H27N3O3/c1-14(2)23-12-9-21-19(23)15-7-10-22(11-8-15)20(24)16-5-6-17(25-3)18(13-16)26-4/h5-6,9,12-15H,7-8,10-11H2,1-4H3
InChIKeySIFOHCVCVSCVQN-UHFFFAOYSA-N
XLogP3.50
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone 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 (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone (CID 72871112) is (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(c3nccn3C(C)C)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is SIFOHCVCVSCVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)23-12-9-21-19(23)15-7-10-22(11-8-15)20(24)16-5-6-17(25-3)18(13-16)26-4/h5-6,9,12-15H,7-8,10-11H2,1-4H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 72871112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).