N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide

C17H24FN3O — CID 6154621

IUPACN-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide
SMILESCCC/C(=N/NC(=O)CN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O/c1-2-6-16(14-7-9-15(18)10-8-14)19-20-17(22)13-21-11-4-3-5-12-21/h7-10H,2-6,11-13H2,1H3,(H,20,22)/b19-16-
InChIKeyCCJLFFKGWNUSSI-MNDPQUGUSA-N
MW305.40 g/mol
LogP2.93
Rot. Bonds6

About N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide

N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 6154621) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide
PubChem CID6154621
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC NameN-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide
SMILESCCC/C(=N/NC(=O)CN1CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O/c1-2-6-16(14-7-9-15(18)10-8-14)19-20-17(22)13-21-11-4-3-5-12-21/h7-10H,2-6,11-13H2,1H3,(H,20,22)/b19-16-
InChIKeyCCJLFFKGWNUSSI-MNDPQUGUSA-N
XLogP2.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.93
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

2-(azepan-1-yl)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 786204
(E)-1-(4-fluorophenyl)-N-methoxy-2-piperidin-1-ylethanimine
CID 141042076
2-(benzotriazol-1-yl)-N-[(Z)-1-(4-fluorophenyl)pentylideneamino]acetamide
CID 8975823
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 56692976
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3455972
1-(4-fluorophenyl)-2-(piperidin-1-ylmethyl)pentan-1-one
CID 58514207
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
CID 9242034
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide (CID 6154621) is N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide is CCC/C(=N/NC(=O)CN1CCCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is CCJLFFKGWNUSSI-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-2-6-16(14-7-9-15(18)10-8-14)19-20-17(22)13-21-11-4-3-5-12-21/h7-10H,2-6,11-13H2,1H3,(H,20,22)/b19-16-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide?
N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 305.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)butylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 6154621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).