(3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C23H28N2O3 — CID 2098865

IUPAC(3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1C
InChIInChI=1S/C23H28N2O3/c1-18-21(27-2)16-20(17-22(18)28-3)23(26)25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19/h4-10,16-17H,11-15H2,1-3H3/b10-7+
InChIKeyMUBHHOGTXYLWBA-JXMROGBWSA-N
MW380.49 g/mol
LogP3.48
Rot. Bonds6

About (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

(3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 2098865) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID2098865
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name(3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1C
InChIInChI=1S/C23H28N2O3/c1-18-21(27-2)16-20(17-22(18)28-3)23(26)25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19/h4-10,16-17H,11-15H2,1-3H3/b10-7+
InChIKeyMUBHHOGTXYLWBA-JXMROGBWSA-N
XLogP3.48
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 2098865) is (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(OC)c1C.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is MUBHHOGTXYLWBA-JXMROGBWSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-18-21(27-2)16-20(17-22(18)28-3)23(26)25-14-12-24(13-15-25)11-7-10-19-8-5-4-6-9-19/h4-10,16-17H,11-15H2,1-3H3/b10-7+.
What are the key properties of (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
(3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 380.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-4-methylphenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2098865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).