2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide

C17H25N5O2 — CID 110962985

IUPAC2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C17H25N5O2/c1-3-18-17(22-11-9-21(10-12-22)14(2)23)19-13-16(24)20-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyNOQYDUWVHMBGLL-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.75
Rot. Bonds4

About 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide

2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide (PubChem CID 110962985) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
PubChem CID110962985
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
SMILESCCN/C(=N\CC(=O)Nc1ccccc1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C17H25N5O2/c1-3-18-17(22-11-9-21(10-12-22)14(2)23)19-13-16(24)20-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,19)(H,20,24)
InChIKeyNOQYDUWVHMBGLL-UHFFFAOYSA-N
XLogP0.75
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]-N-phenylacetamide
CID 111184702
2-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide
CID 111738976
2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N-(4-hydroxyphenyl)acetamide
CID 110961223
ethyl 1-[N'-(2-anilino-2-oxoethyl)-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155523
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
4-acetyl-N'-benzyl-N-ethylpiperazine-1-carboximidamide
CID 110962963
N-ethyl-2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 110961774
2-[[ethylamino-[4-(2-hydroxyphenyl)piperazin-1-yl]methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111185614
2-[[ethylamino-[4-(2-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-(4-hydroxyphenyl)acetamide;hydroiodide
CID 111148586
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N-phenylacetamide
CID 111726933
2-[[ethylamino-(2,2,3,3-tetramethylazetidin-1-yl)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 109453473
N-[3-[[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]methyl]phenyl]-3-methylbutanamide
CID 110964093

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide?
The IUPAC name of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide (CID 110962985) is 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide is CCN/C(=N\CC(=O)Nc1ccccc1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide?
The InChIKey is NOQYDUWVHMBGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-18-17(22-11-9-21(10-12-22)14(2)23)19-13-16(24)20-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,19)(H,20,24).
What are the key properties of 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide?
2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide has a molecular weight of 331.42 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-acetylpiperazin-1-yl)-(ethylamino)methylidene]amino]-N-phenylacetamide is sourced from PubChem (CID 110962985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).