N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C25H24FN3O3 — CID 56505727

IUPACN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C25H24FN3O3/c26-20-9-6-10-21(15-20)32-22-13-12-18(16-27-22)17-28-25(31)24(19-7-2-1-3-8-19)29-14-5-4-11-23(29)30/h1-3,6-10,12-13,15-16,24H,4-5,11,14,17H2,(H,28,31)
InChIKeyAETZTCQTNJJHNA-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.38
Rot. Bonds7

About N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56505727) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56505727
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC NameN-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESO=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C25H24FN3O3/c26-20-9-6-10-21(15-20)32-22-13-12-18(16-27-22)17-28-25(31)24(19-7-2-1-3-8-19)29-14-5-4-11-23(29)30/h1-3,6-10,12-13,15-16,24H,4-5,11,14,17H2,(H,28,31)
InChIKeyAETZTCQTNJJHNA-UHFFFAOYSA-N
XLogP4.38
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide with MolForge

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-phenylacetamide
CID 56505728
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514621
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 60610905
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 56577878
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513467
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
1-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-(4-phenylbutan-2-yl)urea
CID 60610599
(2S)-2-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-methylpentanamide
CID 119870375
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328
1-[2-[[6-(3-fluorophenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549762
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119870373
1,1-diethyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 60610934

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56505727) is N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is O=C(NCc1ccc(Oc2cccc(F)c2)nc1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is AETZTCQTNJJHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c26-20-9-6-10-21(15-20)32-22-13-12-18(16-27-22)17-28-25(31)24(19-7-2-1-3-8-19)29-14-5-4-11-23(29)30/h1-3,6-10,12-13,15-16,24H,4-5,11,14,17H2,(H,28,31).
What are the key properties of N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 433.48 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56505727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).