2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide

C21H26N4O2 — CID 6342445

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)=C\c1ccco1
InChIInChI=1S/C21H26N4O2/c1-18(14-20-8-5-13-27-20)15-22-23-21(26)17-25-11-9-24(10-12-25)16-19-6-3-2-4-7-19/h2-8,13-15H,9-12,16-17H2,1H3,(H,23,26)/b18-14+,22-15-
InChIKeyLGRPCGDYYMASJQ-KCZZZHDASA-N
MW366.47 g/mol
LogP2.60
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide (PubChem CID 6342445) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
PubChem CID6342445
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
SMILESCC(/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)=C\c1ccco1
InChIInChI=1S/C21H26N4O2/c1-18(14-20-8-5-13-27-20)15-22-23-21(26)17-25-11-9-24(10-12-25)16-19-6-3-2-4-7-19/h2-8,13-15H,9-12,16-17H2,1H3,(H,23,26)/b18-14+,22-15-
InChIKeyLGRPCGDYYMASJQ-KCZZZHDASA-N
XLogP2.60
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide (CID 6342445) is 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide is CC(/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1)=C\c1ccco1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide?
The InChIKey is LGRPCGDYYMASJQ-KCZZZHDASA-N. The full InChI is InChI=1S/C21H26N4O2/c1-18(14-20-8-5-13-27-20)15-22-23-21(26)17-25-11-9-24(10-12-25)16-19-6-3-2-4-7-19/h2-8,13-15H,9-12,16-17H2,1H3,(H,23,26)/b18-14+,22-15-.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide has a molecular weight of 366.47 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6342445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).