1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide

C20H27N5O3 — CID 119066688

IUPAC1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1nc(-c2cccnc2)no1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H27N5O3/c26-20(15-4-10-25(11-5-15)17-6-12-27-13-7-17)22-9-3-18-23-19(24-28-18)16-2-1-8-21-14-16/h1-2,8,14-15,17H,3-7,9-13H2,(H,22,26)
InChIKeySGGJBQFHHMFSRS-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.68
Rot. Bonds6

About 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide

1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 119066688) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID119066688
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1nc(-c2cccnc2)no1)C1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H27N5O3/c26-20(15-4-10-25(11-5-15)17-6-12-27-13-7-17)22-9-3-18-23-19(24-28-18)16-2-1-8-21-14-16/h1-2,8,14-15,17H,3-7,9-13H2,(H,22,26)
InChIKeySGGJBQFHHMFSRS-UHFFFAOYSA-N
XLogP1.68
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3R)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97283179
N-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]oxane-4-carboxamide
CID 90562611
5-oxo-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 155917301
azepan-1-yl-[1-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methanone
CID 134011136
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
1-propyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 50965970
N-(4-morpholin-4-ylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17354680
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 3159643
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 90647929
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
1-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 31054438
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide (CID 119066688) is 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1nc(-c2cccnc2)no1)C1CCN(C2CCOCC2)CC1.
What is the InChIKey of 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is SGGJBQFHHMFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-20(15-4-10-25(11-5-15)17-6-12-27-13-7-17)22-9-3-18-23-19(24-28-18)16-2-1-8-21-14-16/h1-2,8,14-15,17H,3-7,9-13H2,(H,22,26).
What are the key properties of 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide?
1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 119066688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).