N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide

C23H29FN2O2 — CID 174445363

IUPACN-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide
SMILESCOc1cccc(CCCCC(=O)Nc2cc(C3CCNCC3)ccc2F)c1
InChIInChI=1S/C23H29FN2O2/c1-28-20-7-4-6-17(15-20)5-2-3-8-23(27)26-22-16-19(9-10-21(22)24)18-11-13-25-14-12-18/h4,6-7,9-10,15-16,18,25H,2-3,5,8,11-14H2,1H3,(H,26,27)
InChIKeyQJEWVTBXYQKLJW-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.65
Rot. Bonds8

About N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide

N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide (PubChem CID 174445363) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide
PubChem CID174445363
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide
SMILESCOc1cccc(CCCCC(=O)Nc2cc(C3CCNCC3)ccc2F)c1
InChIInChI=1S/C23H29FN2O2/c1-28-20-7-4-6-17(15-20)5-2-3-8-23(27)26-22-16-19(9-10-21(22)24)18-11-13-25-14-12-18/h4,6-7,9-10,15-16,18,25H,2-3,5,8,11-14H2,1H3,(H,26,27)
InChIKeyQJEWVTBXYQKLJW-UHFFFAOYSA-N
XLogP4.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide?
The IUPAC name of N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide (CID 174445363) is N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide.
What is the SMILES notation for N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide?
The canonical SMILES for N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide is COc1cccc(CCCCC(=O)Nc2cc(C3CCNCC3)ccc2F)c1.
What is the InChIKey of N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide?
The InChIKey is QJEWVTBXYQKLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-28-20-7-4-6-17(15-20)5-2-3-8-23(27)26-22-16-19(9-10-21(22)24)18-11-13-25-14-12-18/h4,6-7,9-10,15-16,18,25H,2-3,5,8,11-14H2,1H3,(H,26,27).
What are the key properties of N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide?
N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide has a molecular weight of 384.50 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-piperidin-4-ylphenyl)-5-(3-methoxyphenyl)pentanamide is sourced from PubChem (CID 174445363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).