N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C21H22FN5O2 — CID 52993053

IUPACN-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccncc4)no3)C2)cc1F
InChIInChI=1S/C21H22FN5O2/c1-14-4-5-17(11-18(14)22)24-21(28)16-3-2-10-27(12-16)13-19-25-20(26-29-19)15-6-8-23-9-7-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,24,28)
InChIKeyJEJVSTAFYHHQMD-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.43
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 52993053) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID52993053
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccncc4)no3)C2)cc1F
InChIInChI=1S/C21H22FN5O2/c1-14-4-5-17(11-18(14)22)24-21(28)16-3-2-10-27(12-16)13-19-25-20(26-29-19)15-6-8-23-9-7-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,24,28)
InChIKeyJEJVSTAFYHHQMD-UHFFFAOYSA-N
XLogP3.43
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 52993053) is N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(Cc3nc(-c4ccncc4)no3)C2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is JEJVSTAFYHHQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-14-4-5-17(11-18(14)22)24-21(28)16-3-2-10-27(12-16)13-19-25-20(26-29-19)15-6-8-23-9-7-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,24,28).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 52993053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).