N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide

C22H24FN5O2 — CID 53166154

IUPACN-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1nc(-c2cccnc2N2CCC(C(=O)NC(C)c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C22H24FN5O2/c1-14(16-5-7-18(23)8-6-16)25-22(29)17-9-12-28(13-10-17)21-19(4-3-11-24-21)20-26-15(2)30-27-20/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,25,29)
InChIKeyXVBXATYYRUCOGA-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide

N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 53166154) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID53166154
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCc1nc(-c2cccnc2N2CCC(C(=O)NC(C)c3ccc(F)cc3)CC2)no1
InChIInChI=1S/C22H24FN5O2/c1-14(16-5-7-18(23)8-6-16)25-22(29)17-9-12-28(13-10-17)21-19(4-3-11-24-21)20-26-15(2)30-27-20/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,25,29)
InChIKeyXVBXATYYRUCOGA-UHFFFAOYSA-N
XLogP3.67
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166155
N-[(1S)-1-phenylethyl]-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 93071770
N-[(4-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166129
N-[[4-(dimethylamino)phenyl]methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166161
1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53135836
N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166137
(3S)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 95101129
(4-cyclohexylpiperazin-1-yl)-[1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidin-4-yl]methanone
CID 53166142
N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 50797136
N-[(2S)-butan-2-yl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 95092882
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 50797159
N-benzyl-N-ethyl-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 53166127

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 53166154) is N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide is Cc1nc(-c2cccnc2N2CCC(C(=O)NC(C)c3ccc(F)cc3)CC2)no1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is XVBXATYYRUCOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-14(16-5-7-18(23)8-6-16)25-22(29)17-9-12-28(13-10-17)21-19(4-3-11-24-21)20-26-15(2)30-27-20/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 53166154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).