1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide

C22H26FN3O3 — CID 45233458

IUPAC1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOc1cccnc1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H26FN3O3/c23-19-5-1-4-17(14-19)9-12-26-16-18(7-8-21(26)27)22(28)25-11-3-13-29-20-6-2-10-24-15-20/h1-2,4-6,10,14-15,18H,3,7-9,11-13,16H2,(H,25,28)
InChIKeyPHPOHITZLZYCNS-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.59
Rot. Bonds9

About 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide

1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide (PubChem CID 45233458) has the molecular formula C22H26FN3O3 and a molecular weight of 399.47 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
PubChem CID45233458
Molecular FormulaC22H26FN3O3
Molecular Weight399.47 g/mol
Exact Mass399.20
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCOc1cccnc1)C1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C22H26FN3O3/c23-19-5-1-4-17(14-19)9-12-26-16-18(7-8-21(26)27)22(28)25-11-3-13-29-20-6-2-10-24-15-20/h1-2,4-6,10,14-15,18H,3,7-9,11-13,16H2,(H,25,28)
InChIKeyPHPOHITZLZYCNS-UHFFFAOYSA-N
XLogP2.59
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.59
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-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide (CID 45233458) is 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide is O=C(NCCCOc1cccnc1)C1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide?
The InChIKey is PHPOHITZLZYCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O3/c23-19-5-1-4-17(14-19)9-12-26-16-18(7-8-21(26)27)22(28)25-11-3-13-29-20-6-2-10-24-15-20/h1-2,4-6,10,14-15,18H,3,7-9,11-13,16H2,(H,25,28).
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide?
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 45233458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).