N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide

C13H20FN5O — CID 119055819

IUPACN-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide
SMILESCc1nn(C)c(F)c1/C=N/NC(=O)CC1CCNCC1
InChIInChI=1S/C13H20FN5O/c1-9-11(13(14)19(2)18-9)8-16-17-12(20)7-10-3-5-15-6-4-10/h8,10,15H,3-7H2,1-2H3,(H,17,20)/b16-8+
InChIKeyHMANKQUPAQQKHS-LZYBPNLTSA-N
MW281.33 g/mol
LogP0.71
Rot. Bonds4

About N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide

N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide (PubChem CID 119055819) has the molecular formula C13H20FN5O and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide
PubChem CID119055819
Molecular FormulaC13H20FN5O
Molecular Weight281.33 g/mol
Exact Mass281.17
IUPAC NameN-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide
SMILESCc1nn(C)c(F)c1/C=N/NC(=O)CC1CCNCC1
InChIInChI=1S/C13H20FN5O/c1-9-11(13(14)19(2)18-9)8-16-17-12(20)7-10-3-5-15-6-4-10/h8,10,15H,3-7H2,1-2H3,(H,17,20)/b16-8+
InChIKeyHMANKQUPAQQKHS-LZYBPNLTSA-N
XLogP0.71
TPSA71.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
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 N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide (CID 119055819) is N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide is Cc1nn(C)c(F)c1/C=N/NC(=O)CC1CCNCC1.
What is the InChIKey of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide?
The InChIKey is HMANKQUPAQQKHS-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H20FN5O/c1-9-11(13(14)19(2)18-9)8-16-17-12(20)7-10-3-5-15-6-4-10/h8,10,15H,3-7H2,1-2H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide?
N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide has a molecular weight of 281.33 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 119055819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).