[4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone

C24H34N2O4 — CID 1006276

IUPAC[4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone
SMILESCc1cc(C(C)(C)C)oc1C(=O)N1CCN(C(=O)c2oc(C(C)(C)C)cc2C)CC1
InChIInChI=1S/C24H34N2O4/c1-15-13-17(23(3,4)5)29-19(15)21(27)25-9-11-26(12-10-25)22(28)20-16(2)14-18(30-20)24(6,7)8/h13-14H,9-12H2,1-8H3
InChIKeyXGRZAMZYCBZPRM-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.68
Rot. Bonds2

About [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone

[4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone (PubChem CID 1006276) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone
PubChem CID1006276
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name[4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone
SMILESCc1cc(C(C)(C)C)oc1C(=O)N1CCN(C(=O)c2oc(C(C)(C)C)cc2C)CC1
InChIInChI=1S/C24H34N2O4/c1-15-13-17(23(3,4)5)29-19(15)21(27)25-9-11-26(12-10-25)22(28)20-16(2)14-18(30-20)24(6,7)8/h13-14H,9-12H2,1-8H3
InChIKeyXGRZAMZYCBZPRM-UHFFFAOYSA-N
XLogP4.68
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-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-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone?
The IUPAC name of [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone (CID 1006276) is [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone.
What is the SMILES notation for [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone?
The canonical SMILES for [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone is Cc1cc(C(C)(C)C)oc1C(=O)N1CCN(C(=O)c2oc(C(C)(C)C)cc2C)CC1.
What is the InChIKey of [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone?
The InChIKey is XGRZAMZYCBZPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-15-13-17(23(3,4)5)29-19(15)21(27)25-9-11-26(12-10-25)22(28)20-16(2)14-18(30-20)24(6,7)8/h13-14H,9-12H2,1-8H3.
What are the key properties of [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone?
[4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone has a molecular weight of 414.55 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-tert-butyl-3-methylfuran-2-carbonyl)piperazin-1-yl]-(5-tert-butyl-3-methylfuran-2-yl)methanone is sourced from PubChem (CID 1006276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).