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

C20H21N3O3 — CID 16802365

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc4nc(C)ccc4o3)CC2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-3-8-18-17(21-14)13-19(26-18)20(24)23-11-9-22(10-12-23)15-4-6-16(25-2)7-5-15/h3-8,13H,9-12H2,1-2H3
InChIKeyLDQZZSGLOUFJNV-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.11
Rot. Bonds3

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

[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (PubChem CID 16802365) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
PubChem CID16802365
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc4nc(C)ccc4o3)CC2)cc1
InChIInChI=1S/C20H21N3O3/c1-14-3-8-18-17(21-14)13-19(26-18)20(24)23-11-9-22(10-12-23)15-4-6-16(25-2)7-5-15/h3-8,13H,9-12H2,1-2H3
InChIKeyLDQZZSGLOUFJNV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone (CID 16802365) is [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is COc1ccc(N2CCN(C(=O)c3cc4nc(C)ccc4o3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
The InChIKey is LDQZZSGLOUFJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-3-8-18-17(21-14)13-19(26-18)20(24)23-11-9-22(10-12-23)15-4-6-16(25-2)7-5-15/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone?
[4-(4-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-(4-methoxyphenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone is sourced from PubChem (CID 16802365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).