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

C24H34N4O2 — CID 43930506

IUPACN-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2noc(CN3CCCC(C(=O)NC4CCCCCCC4)C3)n2)cc1
InChIInChI=1S/C24H34N4O2/c1-18-11-13-19(14-12-18)23-26-22(30-27-23)17-28-15-7-8-20(16-28)24(29)25-21-9-5-3-2-4-6-10-21/h11-14,20-21H,2-10,15-17H2,1H3,(H,25,29)
InChIKeyBAVMFKSNSZAGPK-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.49
Rot. Bonds5

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

N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43930506) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43930506
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC NameN-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1ccc(-c2noc(CN3CCCC(C(=O)NC4CCCCCCC4)C3)n2)cc1
InChIInChI=1S/C24H34N4O2/c1-18-11-13-19(14-12-18)23-26-22(30-27-23)17-28-15-7-8-20(16-28)24(29)25-21-9-5-3-2-4-6-10-21/h11-14,20-21H,2-10,15-17H2,1H3,(H,25,29)
InChIKeyBAVMFKSNSZAGPK-UHFFFAOYSA-N
XLogP4.49
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930723
N-cyclopropyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930815
(3R)-N-cyclopentyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 26772896
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 43930303
[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43930302
N-cyclohexyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934907
N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814408
(3S)-N-cyclopentyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 92733295
N-cyclopentyl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934906
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 43930308
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cycloheptylpiperidine-4-carboxamide
CID 38157346
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 43930563

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43930506) is N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is Cc1ccc(-c2noc(CN3CCCC(C(=O)NC4CCCCCCC4)C3)n2)cc1.
What is the InChIKey of N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is BAVMFKSNSZAGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-18-11-13-19(14-12-18)23-26-22(30-27-23)17-28-15-7-8-20(16-28)24(29)25-21-9-5-3-2-4-6-10-21/h11-14,20-21H,2-10,15-17H2,1H3,(H,25,29).
What are the key properties of N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 410.56 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43930506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).