N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide

C19H29FN2O — CID 11500703

IUPACN-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCCCC[18F])CC1
InChIInChI=1S/C19H29FN2O/c1-2-19(23)22(17-9-5-3-6-10-17)18-11-15-21(16-12-18)14-8-4-7-13-20/h3,5-6,9-10,18H,2,4,7-8,11-16H2,1H3/i20-1
InChIKeyWNSZJHLFZGQSLV-LRFGSCOBSA-N
MW319.45 g/mol
LogP4.03
Rot. Bonds8

About N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide

N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 11500703) has the molecular formula C19H29FN2O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID11500703
Molecular FormulaC19H29FN2O
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(CCCCC[18F])CC1
InChIInChI=1S/C19H29FN2O/c1-2-19(23)22(17-9-5-3-6-10-17)18-11-15-21(16-12-18)14-8-4-7-13-20/h3,5-6,9-10,18H,2,4,7-8,11-16H2,1H3/i20-1
InChIKeyWNSZJHLFZGQSLV-LRFGSCOBSA-N
XLogP4.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide (CID 11500703) is N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(CCCCC[18F])CC1.
What is the InChIKey of N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is WNSZJHLFZGQSLV-LRFGSCOBSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-2-19(23)22(17-9-5-3-6-10-17)18-11-15-21(16-12-18)14-8-4-7-13-20/h3,5-6,9-10,18H,2,4,7-8,11-16H2,1H3/i20-1.
What are the key properties of N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 319.45 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-(18F)fluoropentyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 11500703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).