[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone

C16H18N2O4 — CID 894018

IUPAC[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(C(=O)c2occc2C)CC1
InChIInChI=1S/C16H18N2O4/c1-11-3-9-21-13(11)15(19)17-5-7-18(8-6-17)16(20)14-12(2)4-10-22-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHTBHPALDMDLZNU-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.09
Rot. Bonds2

About [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone

[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 894018) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID894018
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCN(C(=O)c2occc2C)CC1
InChIInChI=1S/C16H18N2O4/c1-11-3-9-21-13(11)15(19)17-5-7-18(8-6-17)16(20)14-12(2)4-10-22-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHTBHPALDMDLZNU-UHFFFAOYSA-N
XLogP2.09
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-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-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone (CID 894018) is [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCN(C(=O)c2occc2C)CC1.
What is the InChIKey of [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is HTBHPALDMDLZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-3-9-21-13(11)15(19)17-5-7-18(8-6-17)16(20)14-12(2)4-10-22-14/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone?
[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 302.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 894018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).