4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide

C15H20FN3O — CID 5165870

IUPAC4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O/c1-11(2)19-9-7-14(8-10-19)17-18-15(20)12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyWLRIEXBRSBTODG-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.42
Rot. Bonds3

About 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide

4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (PubChem CID 5165870) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
PubChem CID5165870
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
SMILESCC(C)N1CCC(=NNC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C15H20FN3O/c1-11(2)19-9-7-14(8-10-19)17-18-15(20)12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyWLRIEXBRSBTODG-UHFFFAOYSA-N
XLogP2.42
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5193391
4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 4924296
4-phenyl-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 5199563
4-tert-butyl-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 870970
1-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 43797171
N-(1,3-dihydroinden-2-ylideneamino)-4-fluorobenzamide
CID 9016757
4-fluoro-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4131322
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
CID 3293640
propyl 4-[2-oxo-2-[2-(1-propan-2-ylpiperidin-4-ylidene)hydrazinyl]ethoxy]benzoate
CID 4927526
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
N-(cyclooctylideneamino)-4-hydroxybenzamide
CID 4218181
N-(cyclooctylideneamino)-4-(2-methylpropoxy)benzamide
CID 54786851

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The IUPAC name of 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide (CID 5165870) is 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The canonical SMILES for 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is CC(C)N1CCC(=NNC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
The InChIKey is WLRIEXBRSBTODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11(2)19-9-7-14(8-10-19)17-18-15(20)12-3-5-13(16)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide?
4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide has a molecular weight of 277.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide is sourced from PubChem (CID 5165870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).