[5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

C25H34N2O2 — CID 24857856

IUPAC[5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C25H34N2O2/c1-25(2,3)20-11-9-19(10-12-20)22-13-14-23(29-22)24(28)27-17-15-26(16-18-27)21-7-5-4-6-8-21/h9-14,21H,4-8,15-18H2,1-3H3
InChIKeyHJTNQQWICWEECK-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.33
Rot. Bonds3

About [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

[5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (PubChem CID 24857856) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
PubChem CID24857856
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name[5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone
SMILESCC(C)(C)c1ccc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)o2)cc1
InChIInChI=1S/C25H34N2O2/c1-25(2,3)20-11-9-19(10-12-20)22-13-14-23(29-22)24(28)27-17-15-26(16-18-27)21-7-5-4-6-8-21/h9-14,21H,4-8,15-18H2,1-3H3
InChIKeyHJTNQQWICWEECK-UHFFFAOYSA-N
XLogP5.33
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone (CID 24857856) is [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone is CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)o2)cc1.
What is the InChIKey of [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
The InChIKey is HJTNQQWICWEECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-25(2,3)20-11-9-19(10-12-20)22-13-14-23(29-22)24(28)27-17-15-26(16-18-27)21-7-5-4-6-8-21/h9-14,21H,4-8,15-18H2,1-3H3.
What are the key properties of [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone?
[5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone has a molecular weight of 394.56 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-tert-butylphenyl)furan-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone is sourced from PubChem (CID 24857856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).