2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide

C16H24FN5O — CID 119117612

IUPAC2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN5O/c1-12(2)20-15(23)11-19-16(18)22-9-7-21(8-10-22)14-5-3-13(17)4-6-14/h3-6,12H,7-11H2,1-2H3,(H2,18,19)(H,20,23)
InChIKeyUCKFVSHRJQBMAN-UHFFFAOYSA-N
MW321.40 g/mol
LogP0.79
Rot. Bonds4

About 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide

2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide (PubChem CID 119117612) has the molecular formula C16H24FN5O and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
PubChem CID119117612
Molecular FormulaC16H24FN5O
Molecular Weight321.40 g/mol
Exact Mass321.20
IUPAC Name2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN5O/c1-12(2)20-15(23)11-19-16(18)22-9-7-21(8-10-22)14-5-3-13(17)4-6-14/h3-6,12H,7-11H2,1-2H3,(H2,18,19)(H,20,23)
InChIKeyUCKFVSHRJQBMAN-UHFFFAOYSA-N
XLogP0.79
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 50.79
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-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-(2,2-difluoroethyl)acetamide
CID 120663332
4-(4-fluorophenyl)-N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111040310
2-[[amino-(4-pyrimidin-2-ylpiperazin-1-yl)methylidene]amino]-N-propan-2-ylacetamide
CID 119117614
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
propan-2-yl 3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]propanoate
CID 111037134
4-(4-fluorophenyl)-N'-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111088954
tert-butyl 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]acetate;hydroiodide
CID 111801469
N'-[2-(diethylamino)propyl]-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 111055396
4-(4-fluorophenyl)-N'-[2-(4-fluorophenyl)ethyl]piperazine-1-carboximidamide
CID 111025571
N'-(2-chloroprop-2-enyl)-4-(4-fluorophenyl)piperazine-1-carboximidamide;hydroiodide
CID 119147921
3-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N,N-dimethylpropanamide
CID 111068257
4-(4-fluorophenyl)-N'-(2-thiophen-2-ylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111816893

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide (CID 119117612) is 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)C/N=C(\N)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide?
The InChIKey is UCKFVSHRJQBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN5O/c1-12(2)20-15(23)11-19-16(18)22-9-7-21(8-10-22)14-5-3-13(17)4-6-14/h3-6,12H,7-11H2,1-2H3,(H2,18,19)(H,20,23).
What are the key properties of 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide?
2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide has a molecular weight of 321.40 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 119117612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).