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

C24H28N4O4 — CID 90642051

IUPACN-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC(Cc3nc(-c4ccccc4C)no3)C2)cc(OC)c1
InChIInChI=1S/C24H28N4O4/c1-16-7-4-5-9-21(16)23-26-22(32-27-23)11-17-8-6-10-28(15-17)24(29)25-18-12-19(30-2)14-20(13-18)31-3/h4-5,7,9,12-14,17H,6,8,10-11,15H2,1-3H3,(H,25,29)
InChIKeyUTPOKRJZEQSMNI-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.55
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide (PubChem CID 90642051) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
PubChem CID90642051
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCC(Cc3nc(-c4ccccc4C)no3)C2)cc(OC)c1
InChIInChI=1S/C24H28N4O4/c1-16-7-4-5-9-21(16)23-26-22(32-27-23)11-17-8-6-10-28(15-17)24(29)25-18-12-19(30-2)14-20(13-18)31-3/h4-5,7,9,12-14,17H,6,8,10-11,15H2,1-3H3,(H,25,29)
InChIKeyUTPOKRJZEQSMNI-UHFFFAOYSA-N
XLogP4.55
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90641316
N-(3,5-dimethoxyphenyl)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 90642396
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90642052
2-(3,4-dimethoxyphenyl)-1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 90641908
(5-chloro-2-methoxyphenyl)-[(3R)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 99993374
(3S)-3-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 99992448
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 90642014
3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90642054
1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 90641913
N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 86265980
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
CID 99993635
[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90641934

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide (CID 90642051) is N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide is COc1cc(NC(=O)N2CCCC(Cc3nc(-c4ccccc4C)no3)C2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
The InChIKey is UTPOKRJZEQSMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-7-4-5-9-21(16)23-26-22(32-27-23)11-17-8-6-10-28(15-17)24(29)25-18-12-19(30-2)14-20(13-18)31-3/h4-5,7,9,12-14,17H,6,8,10-11,15H2,1-3H3,(H,25,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90642051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).