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

C21H28N2O3 — CID 2812051

IUPAC(5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1
InChIInChI=1S/C21H28N2O3/c1-15-16(14-19(26-15)21(2,3)4)20(24)23-12-10-22(11-13-23)17-8-6-7-9-18(17)25-5/h6-9,14H,10-13H2,1-5H3
InChIKeyKRMAHKMVCHBAEG-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.86
Rot. Bonds3

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

(5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 2812051) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID2812051
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1
InChIInChI=1S/C21H28N2O3/c1-15-16(14-19(26-15)21(2,3)4)20(24)23-12-10-22(11-13-23)17-8-6-7-9-18(17)25-5/h6-9,14H,10-13H2,1-5H3
InChIKeyKRMAHKMVCHBAEG-UHFFFAOYSA-N
XLogP3.86
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 2812051) is (5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2cc(C(C)(C)C)oc2C)CC1.
What is the InChIKey of (5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is KRMAHKMVCHBAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-15-16(14-19(26-15)21(2,3)4)20(24)23-12-10-22(11-13-23)17-8-6-7-9-18(17)25-5/h6-9,14H,10-13H2,1-5H3.
What are the key properties of (5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methylfuran-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2812051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).