N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C21H24FN3O3 — CID 24791507

IUPACN-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C21H24FN3O3/c22-17-5-7-19(8-6-17)28-14-12-24-21(27)16-4-9-20(26)25(15-16)13-10-18-3-1-2-11-23-18/h1-3,5-8,11,16H,4,9-10,12-15H2,(H,24,27)
InChIKeyJUZCDHCVXGSDKU-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.20
Rot. Bonds8

About N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 24791507) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID24791507
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCOc1ccc(F)cc1)C1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C21H24FN3O3/c22-17-5-7-19(8-6-17)28-14-12-24-21(27)16-4-9-20(26)25(15-16)13-10-18-3-1-2-11-23-18/h1-3,5-8,11,16H,4,9-10,12-15H2,(H,24,27)
InChIKeyJUZCDHCVXGSDKU-UHFFFAOYSA-N
XLogP2.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.20
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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Related Compounds

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N-[(2-methoxyphenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
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2-(4-methylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 24791507) is N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is O=C(NCCOc1ccc(F)cc1)C1CCC(=O)N(CCc2ccccn2)C1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is JUZCDHCVXGSDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-17-5-7-19(8-6-17)28-14-12-24-21(27)16-4-9-20(26)25(15-16)13-10-18-3-1-2-11-23-18/h1-3,5-8,11,16H,4,9-10,12-15H2,(H,24,27).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24791507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).