1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide

C25H28FN3O2 — CID 56534724

IUPAC1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C25H28FN3O2/c26-22-10-1-6-19(16-22)17-29-14-4-9-21(18-29)25(30)28-13-5-15-31-23-11-2-7-20-8-3-12-27-24(20)23/h1-3,6-8,10-12,16,21H,4-5,9,13-15,17-18H2,(H,28,30)
InChIKeyWLAMXOVFSFIMJU-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.17
Rot. Bonds8

About 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide

1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide (PubChem CID 56534724) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide
PubChem CID56534724
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOc1cccc2cccnc12)C1CCCN(Cc2cccc(F)c2)C1
InChIInChI=1S/C25H28FN3O2/c26-22-10-1-6-19(16-22)17-29-14-4-9-21(18-29)25(30)28-13-5-15-31-23-11-2-7-20-8-3-12-27-24(20)23/h1-3,6-8,10-12,16,21H,4-5,9,13-15,17-18H2,(H,28,30)
InChIKeyWLAMXOVFSFIMJU-UHFFFAOYSA-N
XLogP4.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide (CID 56534724) is 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide is O=C(NCCCOc1cccc2cccnc12)C1CCCN(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is WLAMXOVFSFIMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-22-10-1-6-19(16-22)17-29-14-4-9-21(18-29)25(30)28-13-5-15-31-23-11-2-7-20-8-3-12-27-24(20)23/h1-3,6-8,10-12,16,21H,4-5,9,13-15,17-18H2,(H,28,30).
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 421.52 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-(3-quinolin-8-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 56534724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).