2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide

C20H24N4O2 — CID 5061171

IUPAC2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NN=CC=Cc1ccco1
InChIInChI=1S/C20H24N4O2/c25-20(22-21-10-4-8-19-9-5-15-26-19)17-24-13-11-23(12-14-24)16-18-6-2-1-3-7-18/h1-10,15H,11-14,16-17H2,(H,22,25)
InChIKeyGJORQZSZENSKHG-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.21
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide

2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide (PubChem CID 5061171) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
PubChem CID5061171
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NN=CC=Cc1ccco1
InChIInChI=1S/C20H24N4O2/c25-20(22-21-10-4-8-19-9-5-15-26-19)17-24-13-11-23(12-14-24)16-18-6-2-1-3-7-18/h1-10,15H,11-14,16-17H2,(H,22,25)
InChIKeyGJORQZSZENSKHG-UHFFFAOYSA-N
XLogP2.21
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.21
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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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[(Z)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6865026
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-[(Z)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide
CID 6886482
2-(4-benzylpiperazin-1-yl)-N-[[3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
CID 1185547
2-(4-benzylpiperazin-1-yl)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 702764
2-[(E)-[[2-(4-benzylpiperazin-1-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 6865035
N-[(2-aminophenyl)methylideneamino]-2-(4-benzylpiperazin-1-yl)acetamide
CID 123995368
2-(4-benzylpiperazin-1-yl)-N-[(2-sulfanylphenyl)methylideneamino]acetamide
CID 137072839
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methylphenyl)methylideneamino]acetamide
CID 6885338
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,3-dimethylphenyl)methylideneamino]acetamide
CID 138741424
2-(4-benzylpiperazin-1-yl)-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6146827
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501
N-[[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-hydroxy-2-phenylacetamide
CID 11958888

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide (CID 5061171) is 2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NN=CC=Cc1ccco1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide?
The InChIKey is GJORQZSZENSKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20(22-21-10-4-8-19-9-5-15-26-19)17-24-13-11-23(12-14-24)16-18-6-2-1-3-7-18/h1-10,15H,11-14,16-17H2,(H,22,25).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[3-(furan-2-yl)prop-2-enylideneamino]acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.21, 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-[3-(furan-2-yl)prop-2-enylideneamino]acetamide is sourced from PubChem (CID 5061171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).