3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide

C25H28N4O2 — CID 3393441

IUPAC3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
SMILESO=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=Cc1ccco1
InChIInChI=1S/C25H28N4O2/c30-24(27-26-20-23-12-7-19-31-23)13-14-28-15-17-29(18-16-28)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19-20,25H,13-18H2,(H,27,30)
InChIKeyNGGJOSLPYIBVRX-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.53
Rot. Bonds8

About 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide

3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide (PubChem CID 3393441) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
PubChem CID3393441
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
SMILESO=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=Cc1ccco1
InChIInChI=1S/C25H28N4O2/c30-24(27-26-20-23-12-7-19-31-23)13-14-28-15-17-29(18-16-28)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19-20,25H,13-18H2,(H,27,30)
InChIKeyNGGJOSLPYIBVRX-UHFFFAOYSA-N
XLogP3.53
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.53
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

3-(4-benzhydrylpiperazin-1-yl)-N-[(E)-(5-iodofuran-2-yl)methylideneamino]propanamide
CID 146025204
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-(4-chlorophenyl)methylideneamino]propanamide
CID 6021675
3-(4-benzhydrylpiperazin-1-yl)-N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]propanamide
CID 135909189
3-(4-benzhydrylpiperazin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 3393438
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
3-(4-benzhydrylpiperazin-1-yl)-N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]propanamide
CID 146025202
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
N-(furan-2-ylmethylideneamino)-2-thiomorpholin-4-ylacetamide
CID 791501
N-(4-benzhydrylpiperazine-1-carbothioyl)-3-(furan-2-yl)prop-2-enamide
CID 4945698
N-[(1R)-3-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 7032038
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide?
The IUPAC name of 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide (CID 3393441) is 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide.
What is the SMILES notation for 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide?
The canonical SMILES for 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide is O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN=Cc1ccco1.
What is the InChIKey of 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide?
The InChIKey is NGGJOSLPYIBVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(27-26-20-23-12-7-19-31-23)13-14-28-15-17-29(18-16-28)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,19-20,25H,13-18H2,(H,27,30).
What are the key properties of 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide?
3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide has a molecular weight of 416.53 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide is sourced from PubChem (CID 3393441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).