2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide

C18H22N4O2 — CID 6879025

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccco1
InChIInChI=1S/C18H22N4O2/c23-18(20-19-13-17-7-4-12-24-17)15-22-10-8-21(9-11-22)14-16-5-2-1-3-6-16/h1-7,12-13H,8-11,14-15H2,(H,20,23)/b19-13+
InChIKeyMWSWWEJOYHZNOA-CPNJWEJPSA-N
MW326.40 g/mol
LogP1.55
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide (PubChem CID 6879025) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
PubChem CID6879025
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccco1
InChIInChI=1S/C18H22N4O2/c23-18(20-19-13-17-7-4-12-24-17)15-22-10-8-21(9-11-22)14-16-5-2-1-3-6-16/h1-7,12-13H,8-11,14-15H2,(H,20,23)/b19-13+
InChIKeyMWSWWEJOYHZNOA-CPNJWEJPSA-N
XLogP1.55
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.55
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-[(E)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide (CID 6879025) is 2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C/c1ccco1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is MWSWWEJOYHZNOA-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(20-19-13-17-7-4-12-24-17)15-22-10-8-21(9-11-22)14-16-5-2-1-3-6-16/h1-7,12-13H,8-11,14-15H2,(H,20,23)/b19-13+.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[(E)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.55, 6 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-[(E)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6879025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).