[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

C20H21N3O3 — CID 16802366

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1
InChIInChI=1S/C20H21N3O3/c1-14-7-8-17-15(21-14)13-19(26-17)20(24)23-11-9-22(10-12-23)16-5-3-4-6-18(16)25-2/h3-8,13H,9-12H2,1-2H3
InChIKeyCXWUOBBROGKEMA-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.11
Rot. Bonds3

About [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (PubChem CID 16802366) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
PubChem CID16802366
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1
InChIInChI=1S/C20H21N3O3/c1-14-7-8-17-15(21-14)13-19(26-17)20(24)23-11-9-22(10-12-23)16-5-3-4-6-18(16)25-2/h3-8,13H,9-12H2,1-2H3
InChIKeyCXWUOBBROGKEMA-UHFFFAOYSA-N
XLogP3.11
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-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 [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (CID 16802366) is [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is COc1ccccc1N1CCN(C(=O)c2cc3nc(C)ccc3o2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The InChIKey is CXWUOBBROGKEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-7-8-17-15(21-14)13-19(26-17)20(24)23-11-9-22(10-12-23)16-5-3-4-6-18(16)25-2/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is sourced from PubChem (CID 16802366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).